A1BOX
Summary
| Name: | (3S)-1-{[3-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
| Formula: | C15 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 292.397 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-{[3-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(3-methylsulfanylphenyl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cccc(SC)c1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H20N2O2S/c1-20-13-6-2-4-11(8-13)9-14(18)17-7-3-5-12(10-17)15(16)19/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,16,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | YEEQWHOUTZRGAB-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1cccc(CC(=O)N2CCC[C@@H](C2)C(N)=O)c1 |
| SMILES | CACTVS | 3.385 | CSc1cccc(CC(=O)N2CCC[CH](C2)C(N)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1cccc(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1cccc(c1)CC(=O)N2CCCC(C2)C(=O)N |
