SDF/Mol File of N-METHYLPROPANE-1-SULFONAMIDE (C4H11NO2S)
Identification of N-METHYLPROPANE-1-SULFONAMIDE Chemical Compound
| Chemical Formula | C4H11NO2S |
|---|---|
| Molecular Weight | 137.20064 g/mol |
| IUPAC Name | N-methylpropane-1-sulfonamide |
| SMILES String | CCCS(=O)(=O)NC |
| InChI | InChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h5H,3-4H2,1-2H3 |
| InChIKey | DUIVBXGYYJPSJX-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N-METHYLPROPANE-1-SULFONAMIDE is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of N-METHYLPROPANE-1-SULFONAMIDE molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N-METHYLPROPANE-1-SULFONAMIDE Molecule
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Chemical structure of N-METHYLPROPANE-1-SULFONAMIDE
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-METHYLPROPANE-1-SULFONAMIDE is available in chemical structure page of N-METHYLPROPANE-1-SULFONAMIDE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of N-METHYLPROPANE-1-SULFONAMIDE
The molecular weight of N-METHYLPROPANE-1-SULFONAMIDE is available in molecular weight page of N-METHYLPROPANE-1-SULFONAMIDE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of N-METHYLPROPANE-1-SULFONAMIDE
The chemical formula of N-METHYLPROPANE-1-SULFONAMIDE is given in chemical formula page of N-METHYLPROPANE-1-SULFONAMIDE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of N-METHYLPROPANE-1-SULFONAMIDE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-METHYLPROPANE-1-SULFONAMIDE is:
InChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h5H,3-4H2,1-2H3
It can provide a standard way to encode the molecular information of N-METHYLPROPANE-1-SULFONAMIDE 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 N-METHYLPROPANE-1-SULFONAMIDE is:
InChIKey=DUIVBXGYYJPSJX-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N-METHYLPROPANE-1-SULFONAMIDE, but it needs to be linked to the full InChI to get back to the original structure of the N-METHYLPROPANE-1-SULFONAMIDE since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N-METHYLPROPANE-1-SULFONAMIDE
The N-METHYLPROPANE-1-SULFONAMIDE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-METHYLPROPANE-1-SULFONAMIDE including the registry numbers are listed below, if available:
- BBV-020377
- EN300-94810
- N-methyl-1-Propanesulfonamide
- 25855-60-1
- methyl(propylsulfonyl)amine
N-METHYLPROPANE-1-SULFONAMIDE Identification Summary Frequently Asked Questions (FAQs)
| What’s the N-METHYLPROPANE-1-SULFONAMIDE formula? |
|---|
| C4H11NO2S |
| How many atoms and what elements are included in the N-METHYLPROPANE-1-SULFONAMIDE molecule? |
| 19 atom(s) - 11 Hydrogen atom(s), 4 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are in the N-METHYLPROPANE-1-SULFONAMIDE structure? |
| 18 bond(s) - 7 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), and 1 sulfonamide(s) (thio-/dithio-) |
| What’s the N-METHYLPROPANE-1-SULFONAMIDE’s molar mass? |
| 137.20064 g/mol |
| What’s the SMILES structure of N-METHYLPROPANE-1-SULFONAMIDE? |
| CCCS(=O)(=O)NC |
| What’s the InChI code of N-METHYLPROPANE-1-SULFONAMIDE? |
| InChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h5H,3-4H2,1-2H3 |
| What’s the InChIKey format of N-METHYLPROPANE-1-SULFONAMIDE? |
| DUIVBXGYYJPSJX-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).