N-cyclopropyl-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)ethane-1-sulfonamide

• ChemBase ID: 678062
• Molecular Formular: C19H30N2O3S
• Molecular Mass: 366.5181
• Monoisotopic Mass: 366.19771383
• SMILES: S(=O)(=O)(N(C1CC1)Cc1cc(OCCN2CCCCC2)ccc1)CC
• Canonical SMILES: CCS(=O)(=O)N(C1CC1)Cc1cccc(c1)OCCN1CCCCC1
• InChI: InChI=1S/C19H30N2O3S/c1-2-25(22,23)21(18-9-10-18)16-17-7-6-8-19(15-17)24-14-13-20-11-4-3-5-12-20/h6-8,15,18H,2-5,9-14,16H2,1H3
• InChIKey: WFTASRKKZQHDOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)ethane-1-sulfonamide
• IUPAC Traditional name: N-cyclopropyl-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)ethanesulfonamide
• Synonyms: N-cyclopropyl-N-{3-[2-(1-piperidinyl)ethoxy]benzyl}ethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7950013
• LogD (pH = 7.4): 0.8625122
• Log P: 2.3224769
• Molar Refractivity: 101.1808 cm^3
• Polarizability: 40.319775 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.3
• LOG S: -1.96
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7