A1B2V
Summary
| Name: | (3S)-1-[(thietan-3-yl)acetyl]piperidine-3-carboxamide |
| Formula: | C11 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 242.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(thietan-3-yl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(thietan-3-yl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CC1CSC1)N1CC(CCC1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C11H18N2O2S/c12-11(15)9-2-1-3-13(5-9)10(14)4-8-6-16-7-8/h8-9H,1-7H2,(H2,12,15)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | BKTQIMHCVRWPFO-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)CC2CSC2 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)CC2CSC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[C@@H](CN(C1)C(=O)CC2CSC2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(CN(C1)C(=O)CC2CSC2)C(=O)N |
