(4-(Morpholinosulfonyl)piperazin-1-yl)(thiophen-2-yl)methanone - ≥98% , CAS No.825607-96-3

CAS: 825607-96-3 Cat. No.: M981420 Molecular Weight: 345.400

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1C(=O)C2=CC=CS2)S(=O)(=O)N3CCOCC3
• IUPAC Name: (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
• InChIKey: GPOJNQGUDXMQNX-UHFFFAOYSA-N
• INCHI: 1S/C13H19N3O4S2/c17-13(12-2-1-11-21-12)14-3-5-15(6-4-14)22(18,19)16-7-9-20-10-8-16/h1-2,11H,3-10H2
• Molecular Weight: 345.400

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: Thiophene carboxamides 2-heteroaryl carboxamides Sulfuric acid diamides Morpholines Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperazine-1-sulfonamide - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Morpholine - Sulfuric acid diamide - Oxazinane - Organic sulfuric acid or derivatives - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Carboxamide group - Ether - Carboxylic acid derivative - Dialkyl ether - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic 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: 345.400 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 345.082 Da
• Monoisotopic Mass: 345.082 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 494.000
• 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