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(3R)-3-methanesulfonylpyrrolidine - 97%, high purity , CAS No.1234576-84-1
Discover (3R)-3-methanesulfonylpyrrolidine by Aladdin Scientific in 97% for only $5,604.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
(R)-3-(METHYLSULFONYL)PYRROLIDINE | 1234576-84-1 | (3R)-3-methanesulfonylpyrrolidine | (3R)-3-METHYLSULFONYLPYRROLIDINE | (R)-3-(Methylsulfonyl)pyrrolidine HCl | MFCD17015903 | SCHEMBL5035847 | DTXSID30426592 | AKOS015949488 | AS-33495 | CS-0053325 | EN300-2521110 | A890763 | PYRR
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidines
Alternative Parents
Sulfones Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Sulfonyl - Sulfone - Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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
(3R)-3-methylsulfonylpyrrolidine
INCHI
InChI=1S/C5H11NO2S/c1-9(7,8)5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKey
XCEGFNRUBBVHJT-RXMQYKEDSA-N
Smiles
CS(=O)(=O)C1CCNC1
Isomeric SMILES
CS(=O)(=O)[C@@H]1CCNC1
Molecular Weight
149.21
Reaxy-Rn
13904458
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13904458&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
149.210 g/mol
XLogP3
-0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
149.051 Da
Monoisotopic Mass
149.051 Da
Topological Polar Surface Area
54.600 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
180.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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
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