Cas no 87338-06-5 (1,6-Diazacycloundecane, 1,6-bis[(4-methylphenyl)sulfonyl]-)

1,6-Diazacycloundecane, 1,6-bis[(4-methylphenyl)sulfonyl]- structure
87338-06-5 structure
Product Name:1,6-Diazacycloundecane, 1,6-bis[(4-methylphenyl)sulfonyl]-
CAS No:87338-06-5
MF:C23H32N2O4S2
MW:464.641183853149
CID:657329
PubChem ID:13128599
Update Time:2025-04-19

1,6-Diazacycloundecane, 1,6-bis[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,6-Diazacycloundecane, 1,6-bis[(4-methylphenyl)sulfonyl]-
    • 1,6-bis-(4-methylphenyl)sulfonyl-1,6-diazacycloundecane
    • DTXSID40520338
    • 87338-06-5
    • 1,6-Bis(4-methylbenzene-1-sulfonyl)-1,6-diazacycloundecane
    • Inchi: 1S/C23H32N2O4S2/c1-20-8-12-22(13-9-20)30(26,27)24-16-4-3-5-17-25(19-7-6-18-24)31(28,29)23-14-10-21(2)11-15-23/h8-15H,3-7,16-19H2,1-2H3
    • InChI Key: KSPJBZZJKZHWOK-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(N1CCCCCN(CCCC1)S(C1C=CC(C)=CC=1)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 464.18034985g/mol
  • Monoisotopic Mass: 464.18034985g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 677
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 91.5?2
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