N,N-diethyl-4-(piperidin-4-yl)piperidine-1-sulfonamide

• ChemBase ID: 34579
• Molecular Formular: C14H29N3O2S
• Molecular Mass: 303.46396
• Monoisotopic Mass: 303.19804818
• SMILES: C1CNCCC1C1CCN(CC1)S(=O)(=O)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)N1CCC(CC1)C1CCNCC1)CC
• InChI: InChI=1S/C14H29N3O2S/c1-3-16(4-2)20(18,19)17-11-7-14(8-12-17)13-5-9-15-10-6-13/h13-15H,3-12H2,1-2H3
• InChIKey: HBPNYMSSIYUIOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-4-(piperidin-4-yl)piperidine-1-sulfonamide
• IUPAC Traditional name: N,N-diethyl-4-(piperidin-4-yl)piperidine-1-sulfonamide
• Synonyms: N,N-Diethyl-4,4'-bipiperidine-1-sulfonamide

Database IDs

• MDL Number: MFCD12027112
• PubChem SID: 160997886
• PubChem CID: 25219523

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8855245
• LogD (pH = 7.4): -2.4286742
• Log P: 0.34604502
• Molar Refractivity: 82.996 cm^3
• Polarizability: 33.42447 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false