potassium 2-methyl-2-[(1-oxoallyl)amino]propanesulphonate
General Information
| Mainterm | potassium 2-methyl-2-[(1-oxoallyl)amino]propanesulphonate |
| CAS Reg.No.(or other ID) | 52825-28-2 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23663699 |
| IUPAC Name | potassium;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate |
| InChI | InChI=1S/C7H13NO4S.K/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1 |
| InChI Key | BWFJQOYMXHEGNQ-UHFFFAOYSA-M |
| Canonical SMILES | CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[K+] |
| Molecular Formula | C7H12KNO4S |
| Wikipedia | potassium 2-acrylamido-2-methylpropanesulfonate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 245.334 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Complexity | 304.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B i O A B A Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A H g Q Q A A A A D I i F w A C C A A L A A A K I A C F S E H D A A A A A A A A I A A A A A E A A A A A A A A A A A A A A F A C A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 94.7 |
| Monoisotopic Mass | 245.012 |
| Exact Mass | 245.012 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organosulfonic acids |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acrylic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic alkali metal salt - Carbonyl group - Organic nitrogen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
From ClassyFire