2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide hydrochloride

• ChemBase ID: 243485
• Molecular Formular: C13H19ClN2OS
• Molecular Mass: 286.82076
• Monoisotopic Mass: 286.09066192
• SMILES: C(=O)(N(C1CCSC1)C)C(c1ccccc1)N.Cl
• Canonical SMILES: O=C(N(C1CSCC1)C)C(c1ccccc1)N.Cl
• InChI: InChI=1S/C13H18N2OS.ClH/c1-15(11-7-8-17-9-11)13(16)12(14)10-5-3-2-4-6-10;/h2-6,11-12H,7-9,14H2,1H3;1H
• InChIKey: KZKREMUYAQSIQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide hydrochloride
• Synonyms: 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD22578681
• PubChem SID: 164299395
• PubChem CID: 71757261

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.10456
• LogD (pH = 7.4): 0.56907386
• Log P: 1.0661564
• Molar Refractivity: 71.7186 cm^3
• Polarizability: 28.284073 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.409

Product Information

• Purity: 95%