<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:20:52 UTC</creation_date>
  <update_date>2026-08-23 20:37:17 UTC</update_date>
  <accession/>
  <common_name>2-Acrylamido-2-methylpropanesulfonate</common_name>
  <class>SmallMolecule</class>
  <description>2-Acrylamido-2-methylpropanesulfonate is an organic compound with the formula C7H13NO4S and an average molecular weight of 207.25 g/mol. 2-Acrylamido-2-methylpropanesulfonate belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds.

This substance is identified in or released from 17 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, amplifiers, communication cables or conductors, electric switches, and gas filled discharge tubes with solid cathode, among six other sources. In the realm of food, food processing and cookware, it is found in the processing of meats and the preparation of wort. It is also detected in household cleaning and consumer products, specifically in soap dispensers and cigar cigarettes. Additionally, the compound is present in fencing used in building and construction, as well as in drinking water and water supply. The recorded route of exposure for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-Acrylamido-2-methyl-1-propanesulfonic acid</synonym>
    <synonym>2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid</synonym>
    <synonym>2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid</synonym>
    <synonym>2-methyl-2-[(1-oxoallyl)amino]propanesulfonic acid</synonym>
  </synonyms>
  <chemical_formula>C7H13NO4S</chemical_formula>
  <average_molecular_weight>207.247</average_molecular_weight>
  <monisotopic_moleculate_weight>207.056528599</monisotopic_moleculate_weight>
  <iupac_name>2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid</iupac_name>
  <traditional_iupac>2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid</traditional_iupac>
  <cas_registry_number>15214-89-8</cas_registry_number>
  <smiles>CC(C)(CS(O)(=O)=O)NC(=O)C=C</smiles>
  <inchi>InChI=1S/C7H13NO4S/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)</inchi>
  <inchikey>XHZPRMZZQOIPDS-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Organic sulfonic acids and derivatives</class>
    <sub_class>Organosulfonic acids and derivatives</sub_class>
    <direct_parent>Organosulfonic acids</direct_parent>
    <alternate_parents>
      <alternative_parent>Acrylic acids and derivatives</alternative_parent>
      <alternative_parent>Alkanesulfonic acids</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Secondary carboxylic acid amides</alternative_parent>
      <alternative_parent>Sulfonyls</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acrylic acid or derivatives</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkanesulfonic acid</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxamide group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Organosulfonic acid</substituent>
      <substituent>Organosulfur compound</substituent>
      <substituent>Secondary carboxylic acid amide</substituent>
      <substituent>Sulfonyl</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-0.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.37</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.53</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>6.07e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-2.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-0.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>1.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>207.247</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>207.056528599</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)(CS(O)(=O)=O)NC(=O)C=C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H13NO4S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H13NO4S/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)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XHZPRMZZQOIPDS-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>83.47</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>47.75</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>19.64</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>65360</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>58836</chemspider_id>
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</compound>
