(NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide

C19H21NOS — CID 54756550

IUPAC(NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NOS/c1-19(2,3)22(21)20-18(17-12-8-5-9-13-17)15-14-16-10-6-4-7-11-16/h4-15H,1-3H3/b15-14+,20-18+/t22-/m1/s1
InChIKeyZJYBJIIJQZUJAO-ZOPGWURLSA-N
MW311.45 g/mol
LogP4.65
Rot. Bonds4

About (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide (PubChem CID 54756550) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide
PubChem CID54756550
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name(NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NOS/c1-19(2,3)22(21)20-18(17-12-8-5-9-13-17)15-14-16-10-6-4-7-11-16/h4-15H,1-3H3/b15-14+,20-18+/t22-/m1/s1
InChIKeyZJYBJIIJQZUJAO-ZOPGWURLSA-N
XLogP4.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
Acetophenone azine
CID 5484329
(3Z,5E)-3,6-diphenyl-4,5-diazaocta-3,5-diene
CID 5894538
1-Propiophenone tosylhydrazone
CID 280394
N'-(1-phenylethylidene)benzenesulfonohydrazide
CID 9569840
N-benzhydrylidenebenzenesulfinamide
CID 721538
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-(benzhydrylideneamino)butane-1-sulfonamide
CID 135079545
Tert-butyl-(fluoren-9-ylideneamino)-oxidosulfanium
CID 172445558
(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126802
Chalcone meox-1
CID 21677382

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide (CID 54756550) is (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C(\C=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ZJYBJIIJQZUJAO-ZOPGWURLSA-N. The full InChI is InChI=1S/C19H21NOS/c1-19(2,3)22(21)20-18(17-12-8-5-9-13-17)15-14-16-10-6-4-7-11-16/h4-15H,1-3H3/b15-14+,20-18+/t22-/m1/s1.
What are the key properties of (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 311.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 54756550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).