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Molecule
Cyclopropanesulfonamide
CAS: 154350-29-5 · C3H7NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 154350-29-5
- Molecular Formula
- C3H7NO2S
- Molecular Mass
- 121.16 g/mol
Identifiers
CAS Registry Number
154350-29-5
SMILES
NS(=O)(=O)C1CC1
InChI Key
WMSPXQIQBQAWLL-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H2,4,5,6)
Names and Synonyms
- Cyclopropanesulfonamide Synonym
- Cyclopropanesulfonamide Synonym
- Cyclopropanesulfonic acid amide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.16 g/mol | CAS Common Chemistry |
| 121.16099999999999 g/mol | RDKit | |
| 121.161 g/mol | RDKit | |
| 121.154 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(N)C1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=WMSPXQIQBQAWLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 106-107 °C @ Solvent: Hexane, Ethyl acetate | CAS Common Chemistry |
| Name | Cyclopropanesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.160000000000004 Ų | RDKit |
| 60.16 Ų | RDKit | |
| LogP | -0.5626999999999998 | RDKit |
| -0.5627 | RDKit | |
| Molar Refractivity | 26.129199999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 121.019749464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
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60
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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 = 121.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NO2S.
