N-(cyclopropylmethyl)-N-propylaminosulfonamide

• ChemBase ID: 239534
• Molecular Formular: C7H16N2O2S
• Molecular Mass: 192.27914
• Monoisotopic Mass: 192.09324876
• SMILES: S(=O)(=O)(N(CC1CC1)CCC)N
• Canonical SMILES: CCCN(S(=O)(=O)N)CC1CC1
• InChI: InChI=1S/C7H16N2O2S/c1-2-5-9(12(8,10)11)6-7-3-4-7/h7H,2-6H2,1H3,(H2,8,10,11)
• InChIKey: SQEZOSHAEBWEKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-N-propylaminosulfonamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-N-propylaminosulfonamide
• Synonyms: N-(cyclopropylmethyl)-N-propylaminosulfonamide

Database IDs

• MDL Number: MFCD14647674
• PubChem SID: 164295444
• PubChem CID: 60728589

CALCULATED PROPERTIES

• Acid pKa: 11.061914
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.11595478
• LogD (pH = 7.4): 0.11587204
• Log P: 0.11595584
• Molar Refractivity: 47.8496 cm^3
• Polarizability: 19.764751 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.224

Product Information

• Purity: 95%