Structure & Deep Data of (4-Aminophenyl)(thiomorpholino)methanone (C11H14N2OS)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (4-Aminophenyl)(thiomorpholino)methanone molecule contains a total of 30 bond(s). There are 16 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 tertiary amide(s) (aromatic), 1 primary amine(s) (aromatic), and 1 sulfide(s). Images of the chemical structure of (4-Aminophenyl)(thiomorpholino)methanone are given below:

The 2D chemical structure image of (4-Aminophenyl)(thiomorpholino)methanone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (4-Aminophenyl)(thiomorpholino)methanone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of (4-Aminophenyl)(thiomorpholino)methanone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (4-Aminophenyl)(thiomorpholino)methanone. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying (4-Aminophenyl)(thiomorpholino)methanone Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of (4-Aminophenyl)(thiomorpholino)methanone

  The SMILES string of (4-Aminophenyl)(thiomorpholino)methanone is Nc1ccc(cc1)C(=O)N2CCSCC2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (4-Aminophenyl)(thiomorpholino)methanone.

• Structure Data File (SDF/MOL File) of (4-Aminophenyl)(thiomorpholino)methanone

  The structure data file (SDF/MOL File) of (4-Aminophenyl)(thiomorpholino)methanone is available for download in the SDF page of (4-Aminophenyl)(thiomorpholino)methanone, which provides the information about the atoms, bonds, connectivity and coordinates of (4-Aminophenyl)(thiomorpholino)methanone. The (4-Aminophenyl)(thiomorpholino)methanone structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of (4-Aminophenyl)(thiomorpholino)methanone

  The molecular formula of (4-Aminophenyl)(thiomorpholino)methanone is available in chemical formula page of (4-Aminophenyl)(thiomorpholino)methanone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of (4-Aminophenyl)(thiomorpholino)methanone

  The molecular weight of (4-Aminophenyl)(thiomorpholino)methanone is available in molecular weight page of (4-Aminophenyl)(thiomorpholino)methanone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of (4-Aminophenyl)(thiomorpholino)methanone

  The (4-Aminophenyl)(thiomorpholino)methanone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (4-Aminophenyl)(thiomorpholino)methanone including the various registry numbers, if available:

  • A1-03367
  • 4-(4-aminobenzoyl)thiomorpholine
  • 874831-37-5
  • (4-Aminophenyl)(thiomorpholino)methanone

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(4-Aminophenyl)(thiomorpholino)methanone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (4-Aminophenyl)(thiomorpholino)methanone?
C11H14N2OS
How many atoms and what are the elements included the (4-Aminophenyl)(thiomorpholino)methanone molecule?
29 atom(s) - 14 Hydrogen atom(s), 11 Carbon atom(s), 2 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the (4-Aminophenyl)(thiomorpholino)methanone structure?
30 bond(s) - 16 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 tertiary amide(s) (aromatic), 1 primary amine(s) (aromatic), and 1 sulfide(s)
What’s the (4-Aminophenyl)(thiomorpholino)methanone’s molecular weight?
222.30666 g/mol
What’s the SMILES code of (4-Aminophenyl)(thiomorpholino)methanone?
Nc1ccc(cc1)C(=O)N2CCSCC2
What’s the InChI string of (4-Aminophenyl)(thiomorpholino)methanone?
InChI=1S/C11H14N2OS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8,12H2
What’s the InChIKey code of (4-Aminophenyl)(thiomorpholino)methanone?
GJDBUOPLZVNRRN-UHFFFAOYSA-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).