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N-(azetidin-3-yl)methanesulfonamide hydrochloride - 97%, high purity , CAS No.1239205-33-4
Basic Description
Synonyms
AMY34222 | N-(Azetidin-3-yl)methanesulphonamide hydrochloride | MFCD20926152 | N-(Azetidin-3-yl)methanesulfonamide HCl | 1239205-33-4 | SCHEMBL17255219 | EN300-312805 | Methanesulfonamide, N-3-azetidinyl-, hydrochloride (1:1) | AKOS022186185 | N-(3-Azetid
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
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
Organosulfonamides
Alternative Parents
Organic sulfonamides Aminosulfonyl compounds Azetidines Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Organic sulfonic acid amide - Organosulfonic acid amide - Sulfonyl - Aminosulfonyl compound - Azetidine - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as organosulfonamides. These are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl).
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.
Names and Identifiers
IUPAC Name
N-(azetidin-3-yl)methanesulfonamide;hydrochloride
INCHI
InChI=1S/C4H10N2O2S.ClH/c1-9(7,8)6-4-2-5-3-4;/h4-6H,2-3H2,1H3;1H
InChIKey
VXUBWFLFNHLFSM-UHFFFAOYSA-N
Smiles
CS(=O)(=O)NC1CNC1.Cl
Isomeric SMILES
CS(=O)(=O)NC1CNC1.Cl
Molecular Weight
186.65
Reaxy-Rn
20622772
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20622772&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
186.660 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
186.023 Da
Monoisotopic Mass
186.023 Da
Topological Polar Surface Area
66.600 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
177.000
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
2
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