4-(piperazine-1-sulfonyl)morpholine

• ChemBase ID: 30661
• Molecular Formular: C8H17N3O3S
• Molecular Mass: 235.30388
• Monoisotopic Mass: 235.09906242
• SMILES: S(=O)(=O)(N1CCNCC1)N1CCOCC1
• Canonical SMILES: O=S(=O)(N1CCOCC1)N1CCNCC1
• InChI: InChI=1S/C8H17N3O3S/c12-15(13,10-3-1-9-2-4-10)11-5-7-14-8-6-11/h9H,1-8H2
• InChIKey: GUOAAJLZOUGPKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperazine-1-sulfonyl)morpholine
• IUPAC Traditional name: 4-(piperazine-1-sulfonyl)morpholine
• Synonyms: 4-(Piperazine-1-sulfonyl)-morpholine; 4-(1-piperazinylsulfonyl)morpholine

Database IDs

• CAS Number: 5625-93-4
• MDL Number: MFCD05995674
• PubChem SID: 160993968
• PubChem CID: 973810

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false