| PDB CCD ID: | TI6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H17 N O3 S |
| InChI: | InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1 |
| InChIKey: | JACFLUHHMHHDAJ-JGVFFNPUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H]1CCCN([C@@H]1CO)S(=O)(=O)C | | ACDLabs 12.01 | CC1CCCN(C1CO)S(=O)(C)=O | | OpenEye OEToolkits 2.0.7 | CC1CCCN(C1CO)S(=O)(=O)C | | CACTVS 3.385 | C[CH]1CCCN([CH]1CO)[S](C)(=O)=O | | CACTVS 3.385 | C[C@H]1CCCN([C@@H]1CO)[S](C)(=O)=O |
|
| Name: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol |
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