A1B3M
Summary
| Name: | (3S)-1-[(3R)-thiolane-3-carbonyl]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-[(3R)-thiolane-3-carbonyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(3~{S})-thiolan-3-yl]carbonylpiperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(N1CC(CCC1)C(N)=O)C1CCSC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H18N2O2S/c12-10(14)8-2-1-4-13(6-8)11(15)9-3-5-16-7-9/h8-9H,1-7H2,(H2,12,14)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | FOWCZQMGYPBKOB-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]2CCSC2 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCSC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[C@@H](CN(C1)C(=O)[C@@H]2CCSC2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(CN(C1)C(=O)C2CCSC2)C(=O)N |
