A1B5X
Summary
| Name: | (3S)-1-{[4-(methylsulfanyl)pyridin-3-yl]sulfamoyl}piperidine-3-carboxamide |
| Formula: | C12 H18 N4 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 330.426 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-{[4-(methylsulfanyl)pyridin-3-yl]sulfamoyl}piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(4-methylsulfanylpyridin-3-yl)sulfamoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(Nc1cnccc1SC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C12H18N4O3S2/c1-20-11-4-5-14-7-10(11)15-21(18,19)16-6-2-3-9(8-16)12(13)17/h4-5,7,9,15H,2-3,6,8H2,1H3,(H2,13,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | GMDPEUDWIAGBOI-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccncc1N[S](=O)(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ccncc1N[S](=O)(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1ccncc1NS(=O)(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1ccncc1NS(=O)(=O)N2CCCC(C2)C(=O)N |
