N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-4-(methoxymethyl)-N-methylpiperidine-1-sulfonamide

• ChemBase ID: 329400
• Molecular Formular: C15H27N3O3S2
• Molecular Mass: 361.52318
• Monoisotopic Mass: 361.14938374
• SMILES: S(=O)(=O)(N(C(c1nc(sc1C)C)C)C)N1CCC(CC1)COC
• Canonical SMILES: COCC1CCN(CC1)S(=O)(=O)N(C(c1nc(sc1C)C)C)C
• InChI: InChI=1S/C15H27N3O3S2/c1-11(15-12(2)22-13(3)16-15)17(4)23(19,20)18-8-6-14(7-9-18)10-21-5/h11,14H,6-10H2,1-5H3
• InChIKey: MMWXMCRFGWNHIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-4-(methoxymethyl)-N-methylpiperidine-1-sulfonamide
• IUPAC Traditional name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-4-(methoxymethyl)-N-methylpiperidine-1-sulfonamide
• Synonyms: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(methoxymethyl)-N-methyl-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1244684
• LogD (pH = 7.4): 1.127575
• Log P: 1.1276147
• Molar Refractivity: 93.0116 cm^3
• Polarizability: 36.898956 Å^3
• Polar Surface Area: 62.74 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: 0.49
• LOG S: -2.25
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4