(1S,3R)-3-cyclopropanesulfonamido-N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopentane-1-carboxamide

• ChemBase ID: 592290
• Molecular Formular: C15H23N3O4S
• Molecular Mass: 341.42582
• Monoisotopic Mass: 341.14092723
• SMILES: S(=O)(=O)(C1CC1)N[C@H]1C[C@@H](C(=O)NCc2c(onc2C)C)CC1
• Canonical SMILES: O=C([C@H]1CC[C@H](C1)NS(=O)(=O)C1CC1)NCc1c(C)noc1C
• InChI: InChI=1S/C15H23N3O4S/c1-9-14(10(2)22-17-9)8-16-15(19)11-3-4-12(7-11)18-23(20,21)13-5-6-13/h11-13,18H,3-8H2,1-2H3,(H,16,19)/t11-,12+/m0/s1
• InChIKey: DMNVDLJWPCHYHA-NWDGAFQWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,3R)-3-cyclopropanesulfonamido-N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopentane-1-carboxamide
• IUPAC Traditional name: (1S,3R)-3-cyclopropanesulfonamido-N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopentane-1-carboxamide
• Synonyms: (1S*,3R*)-3-[(cyclopropylsulfonyl)amino]-N-[(3,5-dimethyl-4-isoxazolyl)methyl]cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.577014
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.12754373
• LogD (pH = 7.4): -0.12752678
• Log P: -0.12750064
• Molar Refractivity: 85.5902 cm^3
• Polarizability: 33.42962 Å^3
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.59
• LOG S: -2.5
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 5