N-{1-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]piperidin-4-yl}methanesulfonamide

• ChemBase ID: 570225
• Molecular Formular: C16H25N3O5S
• Molecular Mass: 371.4518
• Monoisotopic Mass: 371.15149192
• SMILES: c1(C(=O)N2CCC(NS(=O)(=O)C)CC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)N1CCC(CC1)NS(=O)(=O)C
• InChI: InChI=1S/C16H25N3O5S/c1-25(21,22)17-14-2-4-19(5-3-14)16(20)13-10-15(24-12-13)11-18-6-8-23-9-7-18/h10,12,14,17H,2-9,11H2,1H3
• InChIKey: AWRBUNYHUCXOSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]piperidin-4-yl}methanesulfonamide
• IUPAC Traditional name: N-{1-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]piperidin-4-yl}methanesulfonamide
• Synonyms: N-{1-[5-(4-morpholinylmethyl)-3-furoyl]-4-piperidinyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.524105
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7505714
• LogD (pH = 7.4): -1.4267646
• Log P: -1.4205556
• Molar Refractivity: 93.3645 cm^3
• Polarizability: 36.47858 Å^3
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.48
• LOG S: -1.95
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 4