A20
Summary
| Name: | 3-aminopropane-1-sulfonic acid |
| Formula: | C3 H9 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 139.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-aminopropane-1-sulfonic acid |
| OpenEye OEToolkits | 1.7.6 | 3-azanylpropane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)CCCN |
| InChI | InChI | 1.03 | InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7) |
| InChIKey | InChI | 1.03 | SNKZJIOFVMKAOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCC[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | NCCC[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CN)CS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CN)CS(=O)(=O)O |
