W98
Summary
| Name: | N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide |
| Formula: | C9 H13 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 231.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-~{N}-(thiophen-2-ylmethyl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(C)(=O)N(Cc1cccs1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C9H13NO2S2/c1-14(11,12)10(8-4-5-8)7-9-3-2-6-13-9/h2-3,6,8H,4-5,7H2,1H3 |
| InChIKey | InChI | 1.06 | NMSMYGVMMBHOAS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N(Cc1sccc1)C2CC2 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)N(Cc1sccc1)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N(Cc1cccs1)C2CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N(Cc1cccs1)C2CC2 |
