2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethane-1-sulfonamide

• ChemBase ID: 780051
• Molecular Formular: C11H26N2O3S
• Molecular Mass: 266.40074
• Monoisotopic Mass: 266.1664137
• SMILES: S(=O)(=O)(N(C)C)CCNC(CC(OC)(C)C)C
• Canonical SMILES: COC(CC(NCCS(=O)(=O)N(C)C)C)(C)C
• InChI: InChI=1S/C11H26N2O3S/c1-10(9-11(2,3)16-6)12-7-8-17(14,15)13(4)5/h10,12H,7-9H2,1-6H3
• InChIKey: SPQVBMLZLFHLPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethane-1-sulfonamide
• IUPAC Traditional name: 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide
• Synonyms: 2-[(3-methoxy-1,3-dimethylbutyl)amino]-N,N-dimethylethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2436345
• LogD (pH = 7.4): -1.8274992
• Log P: -0.17340064
• Molar Refractivity: 70.0932 cm^3
• Polarizability: 28.539059 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.97
• LOG S: -0.97
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7