4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

• ChemBase ID: 845750
• Molecular Formular: C13H24N4O3S
• Molecular Mass: 316.41966
• Monoisotopic Mass: 316.15691165
• SMILES: S(=O)(=O)(N1CCC(c2n(ccn2)CCOC)CC1)N(C)C
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C13H24N4O3S/c1-15(2)21(18,19)17-7-4-12(5-8-17)13-14-6-9-16(13)10-11-20-3/h6,9,12H,4-5,7-8,10-11H2,1-3H3
• InChIKey: SSKCKLXOKIJULO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
• IUPAC Traditional name: 4-[1-(2-methoxyethyl)imidazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N,N-dimethyl-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.3180058
• LogD (pH = 7.4): -0.67510015
• Log P: -0.6456022
• Molar Refractivity: 81.5603 cm^3
• Polarizability: 32.331516 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.29
• LOG S: -1.72
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 4