6BX
Summary
| Name: | (2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid |
| Formula: | C7 H15 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 225.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-3-morpholin-4-yl-2-oxidanyl-propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(O)(CC(CN1CCOCC1)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | NUFBIAUZAMHTSP-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CN1CCOCC1)C[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CN1CCOCC1)C[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1COCCN1C[C@@H](CS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1COCCN1CC(CS(=O)(=O)O)O |
