A1B1Z
Summary
| Name: | (3S)-1-[(4R)-5,6-dihydro-4H-cyclopenta[d][1,2,3]thiadiazole-4-carbonyl]piperidine-3-carboxamide |
| Formula: | C12 H16 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 280.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(4R)-5,6-dihydro-4H-cyclopenta[d][1,2,3]thiadiazole-4-carbonyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[[(4~{S})-5,6-dihydro-4~{H}-cyclopenta[d][1,2,3]thiadiazol-4-yl]carbonyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCCN(C1)C(=O)C1CCc2snnc21 |
| InChI | InChI | 1.06 | InChI=1S/C12H16N4O2S/c13-11(17)7-2-1-5-16(6-7)12(18)8-3-4-9-10(8)14-15-19-9/h7-8H,1-6H2,(H2,13,17)/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.06 | FSHIEOXXSXYCQT-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CCc3snnc23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCc3snnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[C@@H](CN(C1)C(=O)[C@H]2CCc3c2nns3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(CN(C1)C(=O)C2CCc3c2nns3)C(=O)N |
