4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride

• ChemBase ID: 240348
• Molecular Formular: C8H20ClN3O2S
• Molecular Mass: 257.7813
• Monoisotopic Mass: 257.09647558
• SMILES: S(=O)(=O)(N1CCC(CC1)CN)N(C)C.Cl
• Canonical SMILES: NCC1CCN(CC1)S(=O)(=O)N(C)C.Cl
• InChI: InChI=1S/C8H19N3O2S.ClH/c1-10(2)14(12,13)11-5-3-8(7-9)4-6-11;/h8H,3-7,9H2,1-2H3;1H
• InChIKey: PIOTWGWGTATUNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
• IUPAC Traditional name: 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
• Synonyms: 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD22392121
• PubChem SID: 164296258
• PubChem CID: 71756529

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.440387
• LogD (pH = 7.4): -3.8278732
• Log P: -1.4248211
• Molar Refractivity: 56.6282 cm^3
• Polarizability: 23.12652 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.081

Product Information

• Purity: 95%