2-amino-N,4-dimethyl-N-(thiolan-3-yl)pentanamide hydrochloride

• ChemBase ID: 243731
• Molecular Formular: C11H23ClN2OS
• Molecular Mass: 266.83112
• Monoisotopic Mass: 266.12196205
• SMILES: C(=O)(N(C1CCSC1)C)C(CC(C)C)N.Cl
• Canonical SMILES: CC(CC(C(=O)N(C1CSCC1)C)N)C.Cl
• InChI: InChI=1S/C11H22N2OS.ClH/c1-8(2)6-10(12)11(14)13(3)9-4-5-15-7-9;/h8-10H,4-7,12H2,1-3H3;1H
• InChIKey: TZVYVFPLBGHLMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,4-dimethyl-N-(thiolan-3-yl)pentanamide hydrochloride
• IUPAC Traditional name: 2-amino-N,4-dimethyl-N-(thiolan-3-yl)pentanamide hydrochloride
• Synonyms: 2-amino-N,4-dimethyl-N-(thiolan-3-yl)pentanamide hydrochloride

Database IDs

• MDL Number: MFCD22578740
• PubChem SID: 164299641
• PubChem CID: 71757331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.722715
• LogD (pH = 7.4): -0.10754132
• Log P: 0.9526014
• Molar Refractivity: 65.5282 cm^3
• Polarizability: 26.056772 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.608

Product Information

• Purity: 95%