5-(morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline

• ChemBase ID: 229604
• Molecular Formular: C15H23N3O3S
• Molecular Mass: 325.42642
• Monoisotopic Mass: 325.14601261
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(c(N2CCCCC2)cc1)N
• Canonical SMILES: Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C15H23N3O3S/c16-14-12-13(22(19,20)18-8-10-21-11-9-18)4-5-15(14)17-6-2-1-3-7-17/h4-5,12H,1-3,6-11,16H2
• InChIKey: HLHUIDAFOLDZDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline
• IUPAC Traditional name: 5-(morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline
• Synonyms: 5-(Morpholine-4-sulfonyl)-2-piperidin-1-yl-phenylamine

Database IDs

• MDL Number: MFCD02706101
• PubChem SID: 164285514
• PubChem CID: 4461797

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.936842
• LogD (pH = 7.4): 0.9376026
• Log P: 0.9376123
• Molar Refractivity: 88.3548 cm^3
• Polarizability: 33.721058 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.006

Product Information

• Purity: 95%