W2Y
Summary
| Name: | (2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide |
| Formula: | C8 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 220.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-methyl-1-methylsulfonyl-piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C1CCCN(S(C)(=O)=O)C1C)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O3S/c1-6-7(8(9)11)4-3-5-10(6)14(2,12)13/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZHLDXLSBRBBGSZ-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@H](CCCN1[S](C)(=O)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | C[CH]1[CH](CCCN1[S](C)(=O)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(CCCN1S(=O)(=O)C)C(=O)N |
