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 |