| PDB CCD ID: | W2A |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C8 H14 N2 O2 S |
| InChI: | 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: | FANJRWOXJRSBJO-SFYZADRCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1C(CCCN1S(=O)(=O)C)C#N | | OpenEye OEToolkits 2.0.7 | C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C#N | | CACTVS 3.385 | C[CH]1[CH](CCCN1[S](C)(=O)=O)C#N | | CACTVS 3.385 | C[C@@H]1[C@@H](CCCN1[S](C)(=O)=O)C#N | | ACDLabs 12.01 | N#CC1CCCN(C1C)S(=O)(C)=O |
|
| Name: | (2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile |
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