N,N-dimethyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

• ChemBase ID: 275206
• Molecular Formular: C11H16N2O2S
• Molecular Mass: 240.32194
• Monoisotopic Mass: 240.09324876
• SMILES: S(=O)(=O)(c1c2c(NCCC2)ccc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)c1cccc2c1CCCN2)C
• InChI: InChI=1S/C11H16N2O2S/c1-13(2)16(14,15)11-7-3-6-10-9(11)5-4-8-12-10/h3,6-7,12H,4-5,8H2,1-2H3
• InChIKey: NGTIUNHJJFYEEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
• Synonyms: N,N-dimethyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

Database IDs

• MDL Number: MFCD18839128
• PubChem SID: 164331116
• PubChem CID: 54593578

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.97503036
• LogD (pH = 7.4): 0.98375165
• Log P: 0.983864
• Molar Refractivity: 66.1137 cm^3
• Polarizability: 25.154829 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.92

Product Information

• Purity: 95%