A1B2U
Summary
| Name: | (3S)-1-(thiane-4-carbonyl)piperidine-3-carboxamide |
| Formula: | C12 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 256.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-(thiane-4-carbonyl)piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-(thian-4-ylcarbonyl)piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(N1CCCC(C1)C(N)=O)C1CCSCC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H20N2O2S/c13-11(15)10-2-1-5-14(8-10)12(16)9-3-6-17-7-4-9/h9-10H,1-8H2,(H2,13,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | OJBHGPGRQLLRTQ-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)C2CCSCC2 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)C2CCSCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[C@@H](CN(C1)C(=O)C2CCSCC2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(CN(C1)C(=O)C2CCSCC2)C(=O)N |
