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

• ChemBase ID: 745396
• Molecular Formular: C8H18N2O2S2
• Molecular Mass: 238.37072
• Monoisotopic Mass: 238.08096983
• SMILES: S(=O)(=O)(N(C)C)CCNC1CCSC1
• Canonical SMILES: CN(S(=O)(=O)CCNC1CSCC1)C
• InChI: InChI=1S/C8H18N2O2S2/c1-10(2)14(11,12)6-4-9-8-3-5-13-7-8/h8-9H,3-7H2,1-2H3
• InChIKey: UIMWBWISXGRKJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5341344
• LogD (pH = 7.4): -1.8960929
• Log P: -0.6633186
• Molar Refractivity: 60.4502 cm^3
• Polarizability: 24.663721 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.29
• LOG S: -1.49
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4