EFF
Summary
| Name: | 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide |
| Formula: | C10 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 230.327 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | OHKVCMUJTCAISN-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CS)C(=O)N1CCC(CC1)C(N)=O |
| SMILES | CACTVS | 3.385 | C[CH](CS)C(=O)N1CCC(CC1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CS)C(=O)N1CCC(CC1)C(=O)N |
