5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide

• ChemBase ID: 270582
• Molecular Formular: C10H18N2O2S2
• Molecular Mass: 262.39212
• Monoisotopic Mass: 262.08096983
• SMILES: S(=O)(=O)(c1sc(cc1)CCN)N(CC)CC
• Canonical SMILES: NCCc1ccc(s1)S(=O)(=O)N(CC)CC
• InChI: InChI=1S/C10H18N2O2S2/c1-3-12(4-2)16(13,14)10-6-5-9(15-10)7-8-11/h5-6H,3-4,7-8,11H2,1-2H3
• InChIKey: WSZQEGQNZQIXFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
• IUPAC Traditional name: 5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
• Synonyms: 5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD12190051
• PubChem SID: 164326492
• PubChem CID: 43420051

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7545562
• LogD (pH = 7.4): -0.81704015
• Log P: 1.2335516
• Molar Refractivity: 66.8951 cm^3
• Polarizability: 26.813274 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.407

Product Information

• Purity: 95%