2M0
Summary
| Name: | (3S)-5-methyl-1-(methylsulfonyl)hexan-3-amine |
| Formula: | C8 H19 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 193.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-5-methyl-1-(methylsulfonyl)hexan-3-amine |
| OpenEye OEToolkits | 1.7.6 | (3S)-5-methyl-1-methylsulfonyl-hexan-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(CCC(N)CC(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H19NO2S/c1-7(2)6-8(9)4-5-12(3,10)11/h7-8H,4-6,9H2,1-3H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | ZAJGKRWXMSBBNR-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N)CC[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N)CC[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](CCS(=O)(=O)C)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(CCS(=O)(=O)C)N |
