N-{2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl}-N-methylmethanesulfonamide

• ChemBase ID: 614509
• Molecular Formular: C15H24N2O3S
• Molecular Mass: 312.42766
• Monoisotopic Mass: 312.15076364
• SMILES: S(=O)(=O)(N(CCNC1Cc2c(ccc(c2)OC)CC1)C)C
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NCCN(S(=O)(=O)C)C
• InChI: InChI=1S/C15H24N2O3S/c1-17(21(3,18)19)9-8-16-14-6-4-12-5-7-15(20-2)11-13(12)10-14/h5,7,11,14,16H,4,6,8-10H2,1-3H3
• InChIKey: MVEAMUDINLCADE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl}-N-methylmethanesulfonamide
• IUPAC Traditional name: N-{2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl}-N-methylmethanesulfonamide
• Synonyms: N-{2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl}-N-methylmethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.113855
• LogD (pH = 7.4): -0.68100786
• Log P: 0.9473865
• Molar Refractivity: 83.9963 cm^3
• Polarizability: 33.536934 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.98
• LOG S: -2.16
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5