N-[2-(piperazin-1-yl)ethyl]morpholine-4-sulfonamide dihydrochloride

• ChemBase ID: 266941
• Molecular Formular: C10H24Cl2N4O3S
• Molecular Mass: 351.29356
• Monoisotopic Mass: 350.09461701
• SMILES: S(=O)(=O)(N1CCOCC1)NCCN1CCNCC1.Cl.Cl
• Canonical SMILES: O=S(=O)(N1CCOCC1)NCCN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H22N4O3S.2ClH/c15-18(16,14-7-9-17-10-8-14)12-3-6-13-4-1-11-2-5-13;;/h11-12H,1-10H2;2*1H
• InChIKey: QYEASVUFPPQIFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(piperazin-1-yl)ethyl]morpholine-4-sulfonamide dihydrochloride
• IUPAC Traditional name: N-[2-(piperazin-1-yl)ethyl]morpholine-4-sulfonamide dihydrochloride
• Synonyms: N-[2-(piperazin-1-yl)ethyl]morpholine-4-sulfonamide dihydrochloride

Database IDs

• MDL Number: MFCD16040101
• PubChem SID: 164322851
• PubChem CID: 47002879

CALCULATED PROPERTIES

• Acid pKa: 10.754861
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.1773915
• LogD (pH = 7.4): -3.8631477
• Log P: -2.1849854
• Molar Refractivity: 69.3807 cm^3
• Polarizability: 28.331573 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): -1.062

Product Information

• Purity: 95%