N-cyclohexyl-N-methylpiperazine-1-sulfonamide

• ChemBase ID: 255488
• Molecular Formular: C11H23N3O2S
• Molecular Mass: 261.38422
• Monoisotopic Mass: 261.15109799
• SMILES: S(=O)(=O)(N1CCNCC1)N(C1CCCCC1)C
• Canonical SMILES: CN(S(=O)(=O)N1CCNCC1)C1CCCCC1
• InChI: InChI=1S/C11H23N3O2S/c1-13(11-5-3-2-4-6-11)17(15,16)14-9-7-12-8-10-14/h11-12H,2-10H2,1H3
• InChIKey: YFYZPRKKMXYLHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-methylpiperazine-1-sulfonamide
• IUPAC Traditional name: N-cyclohexyl-N-methylpiperazine-1-sulfonamide
• Synonyms: N-cyclohexyl-N-methylpiperazine-1-sulfonamide

Database IDs

• MDL Number: MFCD08444721
• PubChem SID: 164311398
• PubChem CID: 16228164

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4920578
• LogD (pH = 7.4): -0.030755404
• Log P: 0.16674252
• Molar Refractivity: 68.198 cm^3
• Polarizability: 27.911676 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.645

Product Information

• Purity: 95%