4-Ethylpiperazine-1-sulfonamide - ≥95% , CAS No.4114-84-5

CAS: 4114-84-5 Cat. No.: E1017434 Formula: C₆H₁₅N₃O₂S Peso molecolare: 193.270 Numero EC: 844-504-6

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CCN1CCN(CC1)S(=O)(=O)N
• IUPAC Name: 4-ethylpiperazine-1-sulfonamide
• InChIKey: BAVMVXJZYYDDHT-UHFFFAOYSA-N
• INCHI: 1S/C6H15N3O2S/c1-2-8-3-5-9(6-4-8)12(7,10)11/h2-6H2,1H3,(H2,7,10,11)
• Peso molecolare: 193.270

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazinesulfonamides
• Alternative Parents: N-alkylpiperazines Sulfuric acid diamides Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine-1-sulfonamide - N-alkylpiperazine - Sulfuric acid diamide - Organic sulfuric acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 193.270 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 193.088 Da
• Monoisotopic Mass: 193.088 Da
• Topological Polar Surface Area: 75.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 226.000
• 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