1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine , CAS No.825607-93-0

CAS: 825607-93-0 Cat. No.: P1295628 Peso molecular: 343.5

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CS3
• IUPAC Name: (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
• InChIKey: XXFHBAUGAYJFKR-UHFFFAOYSA-N
• INCHI: 1S/C14H21N3O3S2/c18-14(13-5-4-12-21-13)15-8-10-17(11-9-15)22(19,20)16-6-2-1-3-7-16/h4-5,12H,1-3,6-11H2
• Peso molecular: 343.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazinesulfonamides
• Alternative Parents: Thiophene carboxamides 2-heteroaryl carboxamides Sulfuric acid diamides Piperidines Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperazine-1-sulfonamide - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Sulfuric acid diamide - Piperidine - Organic sulfuric acid or derivatives - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 343.500 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 343.102 Da
• Monoisotopic Mass: 343.102 Da
• Topological Polar Surface Area: 97.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 492.000
• 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