A1B03
Summary
| Name: | (3S)-1-(ethenesulfonyl)piperidine-3-carboxamide |
| Formula: | C8 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 218.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-(ethenesulfonyl)piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-ethenylsulfonylpiperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(C=C)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C8H14N2O3S/c1-2-14(12,13)10-5-3-4-7(6-10)8(9)11/h2,7H,1,3-6H2,(H2,9,11)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | FSNFOMGLDYESSZ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)[S](=O)(=O)C=C |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)[S](=O)(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C=CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C=CS(=O)(=O)N1CCCC(C1)C(=O)N |
