WOJ
Summary
| Name: | (3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine |
| Formula: | C7 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 192.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{R})-3-methyl-1-methylsulfonyl-piperidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CN(CCC1N)S(C)(=O)=O |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | FRNHPJXWQSBQMR-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(CC[C@H]1N)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CN(CC[CH]1N)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CCC1N)S(=O)(=O)C |
