5-(piperidine-1-sulfonyl)pyridin-2-amine

• ChemBase ID: 114789
• Molecular Formular: C10H15N3O2S
• Molecular Mass: 241.31
• Monoisotopic Mass: 241.08849774
• SMILES: S(=O)(=O)(c1cnc(cc1)N)N1CCCCC1
• Canonical SMILES: Nc1ccc(cn1)S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C10H15N3O2S/c11-10-5-4-9(8-12-10)16(14,15)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H2,11,12)
• InChIKey: QTSQMRRSHUXCMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidine-1-sulfonyl)pyridin-2-amine
• IUPAC Traditional name: 5-(piperidine-1-sulfonyl)pyridin-2-amine
• Synonyms: 5-(Piperidine-1-sulfonyl)-pyridin-2-ylamine; 5-(piperidine-1-sulfonyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD06307747
• PubChem SID: 162099687
• PubChem CID: 5267955

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.42421335
• LogD (pH = 7.4): 0.42484593
• Log P: 0.424854
• Molar Refractivity: 63.0083 cm^3
• Polarizability: 24.362734 Å^3
• Polar Surface Area: 76.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Partition Coefficient: 0.126
• Hydrophobicity(logP): 0.926

Product Information

• Purity: 95%; 95+%