IJ6
Summary
| Name: | 2-[(cyclohexylmethyl)amino]ethanesulfonic 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 | 12.01 | 2-[(cyclohexylmethyl)amino]ethanesulfonic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(cyclohexylmethylamino)ethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)CCNCC1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO3S/c11-14(12,13)7-6-10-8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,11,12,13) |
| InChIKey | InChI | 1.03 | UMTSMLKBBCGVNJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[S](=O)(=O)CCNCC1CCCCC1 |
| SMILES | CACTVS | 3.370 | O[S](=O)(=O)CCNCC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CNCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CNCCS(=O)(=O)O |
