2-(2,3-dihydro-1H-indole-1-sulfonyl)ethan-1-amine hydrochloride

• ChemBase ID: 257056
• Molecular Formular: C10H15ClN2O2S
• Molecular Mass: 262.7563
• Monoisotopic Mass: 262.05427641
• SMILES: S(=O)(=O)(N1c2c(CC1)cccc2)CCN.Cl
• Canonical SMILES: NCCS(=O)(=O)N1CCc2c1cccc2.Cl
• InChI: InChI=1S/C10H14N2O2S.ClH/c11-6-8-15(13,14)12-7-5-9-3-1-2-4-10(9)12;/h1-4H,5-8,11H2;1H
• InChIKey: HWLYVTCCJWLSMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-indole-1-sulfonyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,3-dihydroindole-1-sulfonyl)ethanamine hydrochloride
• Synonyms: 2-(2,3-dihydro-1H-indol-1-ylsulfonyl)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD11099566
• PubChem SID: 164312966
• PubChem CID: 42935476

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7235062
• LogD (pH = 7.4): -1.1168184
• Log P: -0.03484502
• Molar Refractivity: 59.0211 cm^3
• Polarizability: 23.79972 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 0.941

Product Information

• Purity: 95%