N,N-dimethyl-2-[(piperidin-3-yl)amino]ethane-1-sulfonamide

• ChemBase ID: 315040
• Molecular Formular: C9H21N3O2S
• Molecular Mass: 235.34694
• Monoisotopic Mass: 235.13544793
• SMILES: S(=O)(=O)(N(C)C)CCNC1CNCCC1
• Canonical SMILES: CN(S(=O)(=O)CCNC1CCCNC1)C
• InChI: InChI=1S/C9H21N3O2S/c1-12(2)15(13,14)7-6-11-9-4-3-5-10-8-9/h9-11H,3-8H2,1-2H3
• InChIKey: VRENMLQJESZMFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[(piperidin-3-yl)amino]ethane-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
• Synonyms: N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.918078
• LogD (pH = 7.4): -3.3038676
• Log P: -1.1989504
• Molar Refractivity: 60.6441 cm^3
• Polarizability: 24.960646 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.43
• LOG S: -0.85
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4