W2A
Summary
| Name: | (2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile |
| Formula: | C8 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 202.274 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-2-methyl-1-methylsulfonyl-piperidine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC1CCCN(C1C)S(=O)(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O2S/c1-7-8(6-9)4-3-5-10(7)13(2,11)12/h7-8H,3-5H2,1-2H3/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | FANJRWOXJRSBJO-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1[C@@H](CCCN1[S](C)(=O)=O)C#N |
| SMILES | CACTVS | 3.385 | C[CH]1[CH](CCCN1[S](C)(=O)=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(CCCN1S(=O)(=O)C)C#N |
