N-[1-(diphenylmethyl)azetidin-3-ylidene]-2-methylpropane-2-sulfinamide

• ChemBase ID: 65361
• Molecular Formular: C20H24N2OS
• Molecular Mass: 340.48236
• Monoisotopic Mass: 340.1609344
• SMILES: C1/C(=N\S(=O)C(C)(C)C)/CN1C(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(S(=O)/N=C/1\CN(C1)C(c1ccccc1)c1ccccc1)(C)C
• InChI: InChI=1S/C20H24N2OS/c1-20(2,3)24(23)21-18-14-22(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,14-15H2,1-3H3
• InChIKey: QUHHZMADJVANJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(diphenylmethyl)azetidin-3-ylidene]-2-methylpropane-2-sulfinamide
• IUPAC Traditional name: N-[1-(diphenylmethyl)azetidin-3-ylidene]-2-methylpropane-2-sulfinamide
• Synonyms: N-(1-Benzhydrylazetidin-3-ylidene)-2-methylpropane-2-sulfinamide

Database IDs

• CAS Number: 1263296-74-7
• MDL Number: MFCD18839242
• PubChem SID: 162031100
• PubChem CID: 56776987

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8886466
• LogD (pH = 7.4): 4.895314
• Log P: 4.8954
• Molar Refractivity: 99.7182 cm^3
• Polarizability: 39.818024 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%