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N-methyl-N-(pyrrolidin-3-yl)methanesulfonamide hydrochloride - 97%, high purity , CAS No.955979-18-7
Discover N-methyl-N-(pyrrolidin-3-yl)methanesulfonamide hydrochloride by Aladdin Scientific in 97% for only $365.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
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 Pyrrolidines Aminosulfonyl compounds Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Organic sulfonic acid amide - Organosulfonic acid amide - Pyrrolidine - Sulfonyl - Aminosulfonyl compound - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organonitrogen 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-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
INCHI
InChI=1S/C6H14N2O2S.ClH/c1-8(11(2,9)10)6-3-4-7-5-6;/h6-7H,3-5H2,1-2H3;1H
InChIKey
YQECDOZPXSNTCY-UHFFFAOYSA-N
Smiles
CN(C1CCNC1)S(=O)(=O)C.Cl
Isomeric SMILES
CN(C1CCNC1)S(=O)(=O)C.Cl
Molecular Weight
214.71
Reaxy-Rn
15590416
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15590416&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
214.710 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
214.054 Da
Monoisotopic Mass
214.054 Da
Topological Polar Surface Area
57.800 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
219.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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