1-(furan-3-sulfonyl)piperazine

• ChemBase ID: 277864
• Molecular Formular: C8H12N2O3S
• Molecular Mass: 216.25748
• Monoisotopic Mass: 216.05686325
• SMILES: S(=O)(=O)(c1ccoc1)N1CCNCC1
• Canonical SMILES: O=S(=O)(c1cocc1)N1CCNCC1
• InChI: InChI=1S/C8H12N2O3S/c11-14(12,8-1-6-13-7-8)10-4-2-9-3-5-10/h1,6-7,9H,2-5H2
• InChIKey: VGIMTQNKPWCVPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-3-sulfonyl)piperazine
• IUPAC Traditional name: 1-(furan-3-sulfonyl)piperazine
• Synonyms: 1-(furan-3-sulfonyl)piperazine

Database IDs

• MDL Number: MFCD19686550
• PubChem SID: 164333774
• PubChem CID: 54594774

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.030698
• LogD (pH = 7.4): -0.5676446
• Log P: -0.3690541
• Molar Refractivity: 51.2781 cm^3
• Polarizability: 20.722935 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.445

Product Information

• Purity: 95%