(NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide

C17H19NOS — CID 71664064

IUPAC(NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-14(15-10-6-4-7-11-15)18-20(19)17(2,3)16-12-8-5-9-13-16/h4-13H,1-3H3/b18-14+/t20-/m1/s1
InChIKeyVXUWLVMYPIEADY-WORNYLJVSA-N
MW285.41 g/mol
LogP4.09
Rot. Bonds4

About (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide

(NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide (PubChem CID 71664064) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide
PubChem CID71664064
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-14(15-10-6-4-7-11-15)18-20(19)17(2,3)16-12-8-5-9-13-16/h4-13H,1-3H3/b18-14+/t20-/m1/s1
InChIKeyVXUWLVMYPIEADY-WORNYLJVSA-N
XLogP4.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.09
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
N-benzhydrylidenebenzenesulfinamide
CID 721538
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
N-(diphenylmethylene)methanesulfonamide
CID 13140019
N-(alpha-Methylbenzylidene)-4-toluenesulfinamide
CID 9576844
(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
CID 11637674
(NE,R)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-2-sulfinamide
CID 16083440

Frequently Asked Questions

What is the IUPAC name of (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide (CID 71664064) is (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide is C/C(=N\[S@](=O)C(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide?
The InChIKey is VXUWLVMYPIEADY-WORNYLJVSA-N. The full InChI is InChI=1S/C17H19NOS/c1-14(15-10-6-4-7-11-15)18-20(19)17(2,3)16-12-8-5-9-13-16/h4-13H,1-3H3/b18-14+/t20-/m1/s1.
What are the key properties of (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide?
(NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide has a molecular weight of 285.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-2-phenyl-N-(1-phenylethylidene)propane-2-sulfinamide is sourced from PubChem (CID 71664064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).