6RW
Summary
| Name: | 2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine |
| Formula: | C12 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 254.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H18N2O2S/c1-9-10(6-4-8-13-9)14-11-5-3-7-12(11)17(2,15)16/h4,6,8,11-12,14H,3,5,7H2,1-2H3/t11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | BFFKQDIRHHTNOE-NEPJUHHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncccc1N[C@@H]2CCC[C@@H]2[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | Cc1ncccc1N[CH]2CCC[CH]2[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(cccn1)NC2CCC[C@@H]2S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(cccn1)NC2CCCC2S(=O)(=O)C |
