N-{2-[4-(furan-2-ylmethyl)morpholin-2-yl]ethyl}cyclopropanesulfonamide

• ChemBase ID: 540222
• Molecular Formular: C14H22N2O4S
• Molecular Mass: 314.40048
• Monoisotopic Mass: 314.13002819
• SMILES: S(=O)(=O)(C1CC1)NCCC1OCCN(Cc2occc2)C1
• Canonical SMILES: O=S(=O)(C1CC1)NCCC1OCCN(C1)Cc1ccco1
• InChI: InChI=1S/C14H22N2O4S/c17-21(18,14-3-4-14)15-6-5-13-11-16(7-9-20-13)10-12-2-1-8-19-12/h1-2,8,13-15H,3-7,9-11H2
• InChIKey: LUSNGJPOKURKJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(furan-2-ylmethyl)morpholin-2-yl]ethyl}cyclopropanesulfonamide
• IUPAC Traditional name: N-{2-[4-(furan-2-ylmethyl)morpholin-2-yl]ethyl}cyclopropanesulfonamide
• Synonyms: N-{2-[4-(2-furylmethyl)morpholin-2-yl]ethyl}cyclopropanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.457791
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.46480983
• LogD (pH = 7.4): 0.1455257
• Log P: 0.16296016
• Molar Refractivity: 79.0551 cm^3
• Polarizability: 31.74042 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.04
• LOG S: -1.76
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 6