4-(piperidine-3-sulfonyl)morpholine

• ChemBase ID: 276259
• Molecular Formular: C9H18N2O3S
• Molecular Mass: 234.31582
• Monoisotopic Mass: 234.10381345
• SMILES: S(=O)(=O)(N1CCOCC1)C1CNCCC1
• Canonical SMILES: O=S(=O)(N1CCOCC1)C1CCCNC1
• InChI: InChI=1S/C9H18N2O3S/c12-15(13,9-2-1-3-10-8-9)11-4-6-14-7-5-11/h9-10H,1-8H2
• InChIKey: CETMZBUTGMAJLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidine-3-sulfonyl)morpholine
• IUPAC Traditional name: 4-(piperidine-3-sulfonyl)morpholine
• Synonyms: 4-(piperidine-3-sulfonyl)morpholine

Database IDs

• MDL Number: MFCD09933282
• PubChem SID: 164332169
• PubChem CID: 22263137

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8401778
• LogD (pH = 7.4): -2.253147
• Log P: -0.9008583
• Molar Refractivity: 57.118 cm^3
• Polarizability: 23.443829 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.316

Product Information

• Purity: 95%