2,6-dimethyl-4-(piperazine-1-sulfonyl)morpholine

• ChemBase ID: 255507
• Molecular Formular: C10H21N3O3S
• Molecular Mass: 263.35704
• Monoisotopic Mass: 263.13036255
• SMILES: S(=O)(=O)(N1CC(OC(C1)C)C)N1CCNCC1
• Canonical SMILES: CC1OC(C)CN(C1)S(=O)(=O)N1CCNCC1
• InChI: InChI=1S/C10H21N3O3S/c1-9-7-13(8-10(2)16-9)17(14,15)12-5-3-11-4-6-12/h9-11H,3-8H2,1-2H3
• InChIKey: UKZQHJCAHARRPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(piperazine-1-sulfonyl)morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-(piperazine-1-sulfonyl)morpholine
• Synonyms: 2,6-dimethyl-4-(piperazin-1-ylsulfonyl)morpholine

Database IDs

• MDL Number: MFCD09971609
• PubChem SID: 164311417
• PubChem CID: 42953285

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.7282035
• LogD (pH = 7.4): -2.0213878
• Log P: -1.0178784
• Molar Refractivity: 65.0959 cm^3
• Polarizability: 26.802134 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.066

Product Information

• Purity: 95%