A1BDG
Summary
| Name: | [(2S,6R)-1-(methanesulfonyl)-6-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 | 14.52 | [(2S,6R)-1-(methanesulfonyl)-6-methylpiperidin-2-yl]methanol |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{S},6~{S})-6-methyl-1-methylsulfonyl-piperidin-2-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(C)(=O)N1C(C)CCCC1CO |
| InChI | InChI | 1.06 | InChI=1S/C8H17NO3S/c1-7-4-3-5-8(6-10)9(7)13(2,11)12/h7-8,10H,3-6H2,1-2H3 |
| InChIKey | InChI | 1.06 | PVAZEUFSKWVBRB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCC[C@@H](CO)N1[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCC[CH](CO)N1[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1CCC[C@H](N1S(=O)(=O)C)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CCCC(N1S(=O)(=O)C)CO |
