N-cyclopropyl-2-(thiomorpholin-3-yl)-N-(thiophen-3-ylmethyl)acetamide hydrochloride

• ChemBase ID: 242531
• Molecular Formular: C14H21ClN2OS2
• Molecular Mass: 332.91234
• Monoisotopic Mass: 332.07838298
• SMILES: C(=O)(N(C1CC1)Cc1cscc1)CC1NCCSC1.Cl
• Canonical SMILES: O=C(N(C1CC1)Cc1cscc1)CC1CSCCN1.Cl
• InChI: InChI=1S/C14H20N2OS2.ClH/c17-14(7-12-10-19-6-4-15-12)16(13-1-2-13)8-11-3-5-18-9-11;/h3,5,9,12-13,15H,1-2,4,6-8,10H2;1H
• InChIKey: NITDAKBLYITLGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(thiomorpholin-3-yl)-N-(thiophen-3-ylmethyl)acetamide hydrochloride
• IUPAC Traditional name: N-cyclopropyl-2-(thiomorpholin-3-yl)-N-(thiophen-3-ylmethyl)acetamide hydrochloride
• Synonyms: N-cyclopropyl-2-(thiomorpholin-3-yl)-N-(thiophen-3-ylmethyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD22566064
• PubChem SID: 164298441
• PubChem CID: 71757039

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3829905
• LogD (pH = 7.4): 0.20613979
• Log P: 1.5539325
• Molar Refractivity: 81.0529 cm^3
• Polarizability: 31.734406 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 1.973

Product Information

• Purity: 95%