2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one

C16H14N2O2S — CID 86232326

IUPAC2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one
SMILESCN1OC(=S)N(c2ccccc2)C(c2ccccc2)C1=O
InChIInChI=1S/C16H14N2O2S/c1-17-15(19)14(12-8-4-2-5-9-12)18(16(21)20-17)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKeyFFQXRPPGVNFRKF-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.92
Rot. Bonds2

About 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one

2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one (PubChem CID 86232326) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one.

Molecular Properties

Compound Name2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one
PubChem CID86232326
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one
SMILESCN1OC(=S)N(c2ccccc2)C(c2ccccc2)C1=O
InChIInChI=1S/C16H14N2O2S/c1-17-15(19)14(12-8-4-2-5-9-12)18(16(21)20-17)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKeyFFQXRPPGVNFRKF-UHFFFAOYSA-N
XLogP2.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione
CID 101385697
(5S)-1,3,5-triphenylimidazolidine-2,4-dione
CID 154708380
1,5-diphenyl-3-triethylsilylimidazolidine-2,4-dione
CID 140848596
1,5-diphenyl-3-tritylimidazolidine-2,4-dione
CID 44614596
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
3-methyl-5-methylidene-4-phenyl-1,3-oxazolidin-2-one
CID 123895052
(3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one
CID 162399829
(5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione
CID 59485595
3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one
CID 14790403
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
3-amino-1,5-diphenylpyrrolidin-2-one
CID 131864676
1,5-dimethyl-2-phenyl-2H-pyrrol-3-one
CID 174831246

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one?
The IUPAC name of 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one (CID 86232326) is 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one.
What is the SMILES notation for 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one?
The canonical SMILES for 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one is CN1OC(=S)N(c2ccccc2)C(c2ccccc2)C1=O.
What is the InChIKey of 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one?
The InChIKey is FFQXRPPGVNFRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-17-15(19)14(12-8-4-2-5-9-12)18(16(21)20-17)13-10-6-3-7-11-13/h2-11,14H,1H3.
What are the key properties of 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one?
2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one has a molecular weight of 298.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one is sourced from PubChem (CID 86232326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).