A1BF0
Summary
| Name: | N-[(3S)-1-propanoylpiperidin-3-yl]methanesulfonamide |
| Formula: | C9 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 234.316 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(3S)-1-propanoylpiperidin-3-yl]methanesulfonamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(3~{R})-1-propanoylpiperidin-3-yl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CC)N1CCCC(NS(C)(=O)=O)C1 |
| InChI | InChI | 1.06 | InChI=1S/C9H18N2O3S/c1-3-9(12)11-6-4-5-8(7-11)10-15(2,13)14/h8,10H,3-7H2,1-2H3 |
| InChIKey | InChI | 1.06 | KKRXYIAKNUZOPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCC[C@H](C1)N[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCC[CH](C1)N[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CCC[C@H](C1)NS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CCCC(C1)NS(=O)(=O)C |
