1-(morpholine-4-sulfonyl)piperidin-4-amine hydrochloride

• ChemBase ID: 50938
• Molecular Formular: C9H20ClN3O3S
• Molecular Mass: 285.7914
• Monoisotopic Mass: 285.0913902
• SMILES: S(=O)(=O)(N1CCC(CC1)N)N1CCOCC1.Cl
• Canonical SMILES: NC1CCN(CC1)S(=O)(=O)N1CCOCC1.Cl
• InChI: InChI=1S/C9H19N3O3S.ClH/c10-9-1-3-11(4-2-9)16(13,14)12-5-7-15-8-6-12;/h9H,1-8,10H2;1H
• InChIKey: AMRIIFMHKXGOJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholine-4-sulfonyl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(morpholine-4-sulfonyl)piperidin-4-amine hydrochloride
• Synonyms: 1-(morpholine-4-sulfonyl)piperidin-4-amine hydrochloride; 1-(Morpholine-4-sulfonyl)-piperidin-4-ylamine hydrochloride

Database IDs

• MDL Number: MFCD14707642
• PubChem SID: 162055701
• PubChem CID: 54594296

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -5.121679
• LogD (pH = 7.4): -4.551321
• Log P: -2.1039224
• Molar Refractivity: 60.8847 cm^3
• Polarizability: 24.973068 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.286

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%