4-(piperazine-1-sulfonyl)morpholine hydrochloride

• ChemBase ID: 254877
• Molecular Formular: C8H18ClN3O3S
• Molecular Mass: 271.76482
• Monoisotopic Mass: 271.07574013
• SMILES: S(=O)(=O)(N1CCNCC1)N1CCOCC1.Cl
• Canonical SMILES: O=S(=O)(N1CCOCC1)N1CCNCC1.Cl
• InChI: InChI=1S/C8H17N3O3S.ClH/c12-15(13,10-3-1-9-2-4-10)11-5-7-14-8-6-11;/h9H,1-8H2;1H
• InChIKey: RGPGMLOCLXQVBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperazine-1-sulfonyl)morpholine hydrochloride
• IUPAC Traditional name: 4-(piperazine-1-sulfonyl)morpholine hydrochloride
• Synonyms: 4-(piperazin-1-ylsulfonyl)morpholine hydrochloride

Database IDs

• MDL Number: MFCD09863412
• PubChem SID: 164310787
• PubChem CID: 42883596

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.5098279
• LogD (pH = 7.4): -2.0485263
• Log P: -1.8510284
• Molar Refractivity: 56.2583 cm^3
• Polarizability: 23.146286 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 238 - 240°C
• Hydrophobicity(logP): 0.028

Product Information

• Purity: 95%