SDF/Mol File of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine (C17H23FN2O5S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine Molecule

• Chemical structure of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine is available in chemical structure page of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine

  The molecular weight of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine is available in molecular weight page of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine

  The chemical formula of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine is given in chemical formula page of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine is:

  InChI=1S/C17H23FN2O5S/c18-14-3-5-15(6-4-14)25-12-13-26(22,23)20-7-1-2-16(20)17(21)19-8-10-24-11-9-19/h3-6,16H,1-2,7-13H2/t16-/m0/s1

  It can provide a standard way to encode the molecular information of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine is:

  InChIKey=MTLWWTOUQRGTBH-INIZCTEOSA-N

  The InChIKey may allow easier web searches for 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine, but it needs to be linked to the full InChI to get back to the original structure of the 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine

  The 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine including the registry numbers are listed below, if available:

  
  
  None available.

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4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine Identification Summary Frequently Asked Questions (FAQs)

What’s the 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine formula?
C17H23FN2O5S
How many atoms and what elements are included in the 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine molecule?
49 atom(s) - 23 Hydrogen atom(s), 17 Carbon atom(s), 2 Nitrogen atom(s), 5 Oxygen atom(s), 1 Sulfur atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine structure?
51 bond(s) - 28 non-H bond(s), 9 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 tertiary amide(s) (aliphatic), 1 ether(s) (aliphatic), 1 ether(s) (aromatic), 1 sulfonamide(s) (thio-/dithio-), and 1 Pyrrolidine(s)
What’s the 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine’s molar mass?
386.438323 g/mol
What’s the SMILES structure of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine?
Fc3ccc(OCCS(=O)(=O)N1CCCC1C(=O)N2CCOCC2)cc3
What’s the InChI code of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine?
InChI=1S/C17H23FN2O5S/c18-14-3-5-15(6-4-14)25-12-13-26(22,23)20-7-1-2-16(20)17(21)19-8-10-24-11-9-19/h3-6,16H,1-2,7-13H2/t16-/m0/s1
What’s the InChIKey format of 4-{[(2S)-1-{[2-(4-fluorophenoxy)ethane]sulfonyl}pyrrolidin-2-yl]carbonyl}morpholine?
MTLWWTOUQRGTBH-INIZCTEOSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).