1-(pyrrolidine-3-sulfonyl)pyrrolidine hydrochloride

• ChemBase ID: 240364
• Molecular Formular: C8H17ClN2O2S
• Molecular Mass: 240.75078
• Monoisotopic Mass: 240.06992647
• SMILES: S(=O)(=O)(N1CCCC1)C1CCNC1.Cl
• Canonical SMILES: O=S(=O)(N1CCCC1)C1CNCC1.Cl
• InChI: InChI=1S/C8H16N2O2S.ClH/c11-13(12,8-3-4-9-7-8)10-5-1-2-6-10;/h8-9H,1-7H2;1H
• InChIKey: CTBUKOZHTCGRKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidine-3-sulfonyl)pyrrolidine hydrochloride
• IUPAC Traditional name: 1-(pyrrolidine-3-sulfonyl)pyrrolidine hydrochloride
• Synonyms: 1-(pyrrolidine-3-sulfonyl)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22392124
• PubChem SID: 164296274
• PubChem CID: 71756533

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9779296
• LogD (pH = 7.4): -2.9467506
• Log P: -0.793923
• Molar Refractivity: 50.9399 cm^3
• Polarizability: 20.880922 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.172

Product Information

• Purity: 95%