3-amino-N,N-dimethyl-2,3-dihydro-1H-indene-5-sulfonamide

• ChemBase ID: 62160
• Molecular Formular: C11H16N2O2S
• Molecular Mass: 240.32194
• Monoisotopic Mass: 240.09324876
• SMILES: S(=O)(=O)(c1cc2c(cc1)CCC2N)N(C)C
• Canonical SMILES: NC1CCc2c1cc(cc2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C11H16N2O2S/c1-13(2)16(14,15)9-5-3-8-4-6-11(12)10(8)7-9/h3,5,7,11H,4,6,12H2,1-2H3
• InChIKey: PQUVGXKEBSUJNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N-dimethyl-2,3-dihydro-1H-indene-5-sulfonamide
• IUPAC Traditional name: 3-amino-N,N-dimethyl-2,3-dihydro-1H-indene-5-sulfonamide
• Synonyms: 3-Amino-indan-5-sulfonic acid dimethylamide

Database IDs

• MDL Number: MFCD18381514
• PubChem SID: 162027899
• PubChem CID: 66509792

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.240379
• LogD (pH = 7.4): -1.0283866
• Log P: 0.6966214
• Molar Refractivity: 64.0635 cm^3
• Polarizability: 25.527105 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false