IC9
Summary
| Name: | N-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine |
| Formula: | C10 H15 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 213.297 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine |
| OpenEye OEToolkits | 1.7.6 | N-methyl-1-[(4-methylphenyl)methylsulfonyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Cc1ccc(cc1)C)CNC |
| InChI | InChI | 1.03 | InChI=1S/C10H15NO2S/c1-9-3-5-10(6-4-9)7-14(12,13)8-11-2/h3-6,11H,7-8H2,1-2H3 |
| InChIKey | InChI | 1.03 | XASGHCUSPMUTIK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CNC[S](=O)(=O)Cc1ccc(C)cc1 |
| SMILES | CACTVS | 3.370 | CNC[S](=O)(=O)Cc1ccc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)CS(=O)(=O)CNC |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)CS(=O)(=O)CNC |
