1-(morpholine-4-sulfonyl)piperidin-3-amine hydrochloride

• ChemBase ID: 276670
• Molecular Formular: C9H20ClN3O3S
• Molecular Mass: 285.7914
• Monoisotopic Mass: 285.0913902
• SMILES: S(=O)(=O)(N1CC(N)CCC1)N1CCOCC1.Cl
• Canonical SMILES: NC1CCCN(C1)S(=O)(=O)N1CCOCC1.Cl
• InChI: InChI=1S/C9H19N3O3S.ClH/c10-9-2-1-3-12(8-9)16(13,14)11-4-6-15-7-5-11;/h9H,1-8,10H2;1H
• InChIKey: ZKEZYUHRFAYHMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholine-4-sulfonyl)piperidin-3-amine hydrochloride
• IUPAC Traditional name: 1-(morpholine-4-sulfonyl)piperidin-3-amine hydrochloride
• Synonyms: 1-(morpholine-4-sulfonyl)piperidin-3-amine hydrochloride

Database IDs

• MDL Number: MFCD19382266
• PubChem SID: 164332580
• PubChem CID: 54594295

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.622501
• LogD (pH = 7.4): -3.598446
• Log P: -1.6465194
• Molar Refractivity: 60.6639 cm^3
• Polarizability: 24.973068 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 0.0

Product Information

• Purity: 95%