1-(4-iodobenzenesulfonyl)piperidin-4-amine

• ChemBase ID: 267428
• Molecular Formular: C11H15IN2O2S
• Molecular Mass: 366.21847
• Monoisotopic Mass: 365.98989673
• SMILES: S(=O)(=O)(N1CCC(CC1)N)c1ccc(cc1)I
• Canonical SMILES: NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)I
• InChI: InChI=1S/C11H15IN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-7-5-10(13)6-8-14/h1-4,10H,5-8,13H2
• InChIKey: SPFBIKWAGVBODP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodobenzenesulfonyl)piperidin-4-amine
• IUPAC Traditional name: 1-(4-iodobenzenesulfonyl)piperidin-4-amine
• Synonyms: 1-[(4-iodobenzene)sulfonyl]piperidin-4-amine

Database IDs

• MDL Number: MFCD12434011
• PubChem SID: 164323338
• PubChem CID: 43556367

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8510067
• LogD (pH = 7.4): -1.2806743
• Log P: 1.166751
• Molar Refractivity: 76.7536 cm^3
• Polarizability: 30.795107 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.666

Product Information

• Purity: 95%