CXS
Summary
| Name: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID |
| Formula: | C9 H19 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 221.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(cyclohexylamino)propane-1-sulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(cyclohexylamino)propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)CCCNC1CCCCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[S](=O)(=O)CCCNC1CCCCC1 |
| SMILES | CACTVS | 3.341 | O[S](=O)(=O)CCCNC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)NCCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)NCCCS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13) |
| InChIKey | InChI | 1.03 | PJWWRFATQTVXHA-UHFFFAOYSA-N |
