| PDB CCD ID: | WOJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H16 N2 O2 S |
| InChI: | InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1 |
| InChIKey: | FRNHPJXWQSBQMR-NKWVEPMBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH]1CN(CC[CH]1N)[S](C)(=O)=O | | OpenEye OEToolkits 2.0.7 | C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C | | CACTVS 3.385 | C[C@H]1CN(CC[C@H]1N)[S](C)(=O)=O | | ACDLabs 12.01 | CC1CN(CCC1N)S(C)(=O)=O | | OpenEye OEToolkits 2.0.7 | CC1CN(CCC1N)S(=O)(=O)C |
|
| Name: | (3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine |
| ZINC: | ZINC000101638850 |
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