6RZ
Summary
| Name: | 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine |
| Formula: | C10 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 228.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O2S/c1-8(7-15(3,13)14)12-10-5-4-6-11-9(10)2/h4-6,8,12H,7H2,1-3H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | HXYSCWJADZACTE-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C[S](C)(=O)=O)Nc1cccnc1C |
| SMILES | CACTVS | 3.385 | C[CH](C[S](C)(=O)=O)Nc1cccnc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(cccn1)N[C@H](C)CS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(cccn1)NC(C)CS(=O)(=O)C |
