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1-(Phenylsulfonyl)piperidin-4-amine - ≥95%, high purity , CAS No.228259-70-9
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds Aminopiperidines Organosulfonamides Sulfonyls Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzenesulfonyl group - 4-aminopiperidine - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Primary amine - Organic oxide - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(benzenesulfonyl)piperidin-4-amine
INCHI
InChI=1S/C11H16N2O2S/c12-10-6-8-13(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-5,10H,6-9,12H2
InChIKey
JKYZVBQALRYBKE-UHFFFAOYSA-N
Smiles
C1CN(CCC1N)S(=O)(=O)C2=CC=CC=C2
Isomeric SMILES
C1CN(CCC1N)S(=O)(=O)C2=CC=CC=C2
PubChem CID
4778222
Molecular Weight
240.33
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
240.320 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
240.093 Da
Monoisotopic Mass
240.093 Da
Topological Polar Surface Area
71.800 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
309.000
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
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