8CH
Summary
| Name: | methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate |
| Formula: | C9 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 235.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{S},3~{R})-3-methyl-1-methylsulfonyl-piperidine-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CCCN(C1C(=O)OC)S(=O)(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO4S/c1-7-5-4-6-10(15(3,12)13)8(7)9(11)14-2/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | HLMYNIFJGFTOOM-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H]1[C@H](C)CCCN1[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1[CH](C)CCCN1[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCCN([C@@H]1C(=O)OC)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN(C1C(=O)OC)S(=O)(=O)C |
