N,N,9-trimethyl-3,9-diazaspiro[5.6]dodecane-3-sulfonamide

• ChemBase ID: 781446
• Molecular Formular: C13H27N3O2S
• Molecular Mass: 289.43738
• Monoisotopic Mass: 289.18239812
• SMILES: S(=O)(=O)(N1CCC2(CC1)CCN(CCC2)C)N(C)C
• Canonical SMILES: CN1CCCC2(CC1)CCN(CC2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C13H27N3O2S/c1-14(2)19(17,18)16-11-7-13(8-12-16)5-4-9-15(3)10-6-13/h4-12H2,1-3H3
• InChIKey: QEZNOPMKIYLMBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,9-trimethyl-3,9-diazaspiro[5.6]dodecane-3-sulfonamide
• IUPAC Traditional name: N,N,9-trimethyl-3,9-diazaspiro[5.6]dodecane-3-sulfonamide
• Synonyms: N,N,9-trimethyl-3,9-diazaspiro[5.6]dodecane-3-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.4421268
• LogD (pH = 7.4): -2.6391
• Log P: 0.028505057
• Molar Refractivity: 78.72 cm^3
• Polarizability: 31.585917 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.14
• LOG S: -1.73
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 0