3-Methylazetidine-1-sulfonamide - ≥98% , CAS No.1418112-83-0

CAS: 1418112-83-0 Cat. No.: M587191 Molecular Weight: 150.2

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1CN(C1)S(=O)(=O)N
• IUPAC Name: 3-methylazetidine-1-sulfonamide
• InChIKey: AVSGFRVSZZIUNB-UHFFFAOYSA-N
• INCHI: 1S/C4H10N2O2S/c1-4-2-6(3-4)9(5,7)8/h4H,2-3H2,1H3,(H2,5,7,8)
• Isomeric SMILES: CC1CN(C1)S(=O)(=O)N
• Molecular Weight: 150.2
• Reaxy-Rn: 23334414
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23334414&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid diamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid diamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid diamides
• Alternative Parents: Azetidines Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfuric acid diamide - Azetidine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfuric acid diamides. These are organic compounds containing the sulfuric acid diamide functional group, with the generic structure R1N(R2)S(=O)(=O)ON(R3)R4 (R1-R4 = H or organyl.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 150.200 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 150.046 Da
• Monoisotopic Mass: 150.046 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 187.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1