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Molecule
N-Methylmethanesulfonamide
CAS: 1184-85-6 · C2H7NO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1184-85-6
- Molecular Formula
- C2H7NO2S
- Molecular Mass
- 109.15 g/mol
Identifiers
CAS Registry Number
1184-85-6
SMILES
CNS(C)(=O)=O
InChI Key
UHNHTTIUNATJKL-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO2S/c1-3-6(2,4)5/h3H,1-2H3
Names and Synonyms
- N-Methylmethanesulfonamide Synonym
- Methanesulfonamide, N-methyl- Synonym
- N-Methylmethanesulfonamide Synonym
- NSC 137909 Synonym
- Methyl(methylsulfonyl)amine Synonym
- N-Methylmethanesulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 109.15 g/mol | CAS Common Chemistry |
| 109.14999999999999 g/mol | RDKit | |
| 109.143 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(NC)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H7NO2S/c1-3-6(2,4)5/h3H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UHNHTTIUNATJKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methylmethanesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.17 Ų | RDKit |
| LogP | -0.8346 | RDKit |
| Molar Refractivity | 23.903499999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 109.019749464 g/mol | RDKit |
| Boiling Point | 153-154 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 109.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H7NO2S.
