TI6
Summary
| Name: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol |
| Formula: | C8 H17 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 207.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S})-3-methyl-1-methylsulfonyl-piperidin-2-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CCCN(C1CO)S(=O)(C)=O |
| InChI | InChI | 1.06 | 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 | InChI | 1.06 | JACFLUHHMHHDAJ-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCN([C@@H]1CO)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCCN([CH]1CO)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCN([C@@H]1CO)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN(C1CO)S(=O)(=O)C |
