1-(1-Piperidinylsulfonyl)piperazine - ≥95% , CAS No.500587-48-4

CAS: 500587-48-4 Cat. No.: P1369029 Molecular Weight: 233.33 EC Number: 674-600-1 PubChem CID: 285501

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CCN(CC1)S(=O)(=O)N2CCNCC2
• IUPAC Name: 1-piperidin-1-ylsulfonylpiperazine
• InChIKey: DRAVEXQQEXRRDS-UHFFFAOYSA-N
• INCHI: 1S/C9H19N3O2S/c13-15(14,11-6-2-1-3-7-11)12-8-4-10-5-9-12/h10H,1-9H2
• Isomeric SMILES: C1CCN(CC1)S(=O)(=O)N2CCNCC2
• PubChem CID: 285501
• Molecular Weight: 233.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazinesulfonamides
• Alternative Parents: Sulfuric acid diamides Piperidines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine-1-sulfonamide - Piperidine - Sulfuric acid diamide - Organic sulfuric acid or derivatives - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazinesulfonamides. These are organic cyclic compounds containing a sulfonamide group attached to a piperazine 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 233.330 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 233.12 Da
• Monoisotopic Mass: 233.12 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 287.000
• 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