N-{2-[(1-methoxypropan-2-yl)amino]ethyl}-N-methylmethanesulfonamide

• ChemBase ID: 707015
• Molecular Formular: C8H20N2O3S
• Molecular Mass: 224.321
• Monoisotopic Mass: 224.11946351
• SMILES: S(=O)(=O)(N(CCNC(COC)C)C)C
• Canonical SMILES: COCC(NCCN(S(=O)(=O)C)C)C
• InChI: InChI=1S/C8H20N2O3S/c1-8(7-13-3)9-5-6-10(2)14(4,11)12/h8-9H,5-7H2,1-4H3
• InChIKey: JLELZPOAESBAGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(1-methoxypropan-2-yl)amino]ethyl}-N-methylmethanesulfonamide
• IUPAC Traditional name: N-{2-[(1-methoxypropan-2-yl)amino]ethyl}-N-methylmethanesulfonamide
• Synonyms: N-{2-[(2-methoxy-1-methylethyl)amino]ethyl}-N-methylmethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.9209123
• LogD (pH = 7.4): -2.2640567
• Log P: -1.0827013
• Molar Refractivity: 56.047 cm^3
• Polarizability: 23.040232 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.03
• LOG S: -1.12
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6