W24
Summary
| Name: | (2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide |
| Formula: | C9 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 234.316 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-~{N},2-dimethyl-1-methylsulfonyl-piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCCC(C1C)C(NC)=O)S(C)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O3S/c1-7-8(9(12)10-2)5-4-6-11(7)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | CPUIXPUDABQXEN-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@H]1CCCN([C@H]1C)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CNC(=O)[CH]1CCCN([CH]1C)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(CCCN1S(=O)(=O)C)C(=O)NC |
