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

• ChemBase ID: 34554
• Molecular Formular: C12H25N3O2S
• Molecular Mass: 275.4108
• Monoisotopic Mass: 275.16674806
• SMILES: N(S(=O)(=O)N1CCC(C2CCNCC2)CC1)(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC(CC1)C1CCNCC1)C
• InChI: InChI=1S/C12H25N3O2S/c1-14(2)18(16,17)15-9-5-12(6-10-15)11-3-7-13-8-4-11/h11-13H,3-10H2,1-2H3
• InChIKey: JYTHYCMPNRDNOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1000958-59-7
• MDL Number: MFCD12027103
• PubChem SID: 160997861
• PubChem CID: 25219516

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.599141
• LogD (pH = 7.4): -3.14229
• Log P: -0.3675709
• Molar Refractivity: 73.4988 cm^3
• Polarizability: 29.748266 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false