5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione

C12H11FN2O3S — CID 2919670

IUPAC5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESCS(C)=C1C(=O)NC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C12H11FN2O3S/c1-19(2)9-10(16)14-12(18)15(11(9)17)8-6-4-3-5-7(8)13/h3-6H,1-2H3,(H,14,16,18)
InChIKeyASVLGEKVUIADLN-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.11
Rot. Bonds1

About 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione

5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2919670) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
PubChem CID2919670
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESCS(C)=C1C(=O)NC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C12H11FN2O3S/c1-19(2)9-10(16)14-12(18)15(11(9)17)8-6-4-3-5-7(8)13/h3-6H,1-2H3,(H,14,16,18)
InChIKeyASVLGEKVUIADLN-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione (CID 2919670) is 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione is CS(C)=C1C(=O)NC(=O)N(c2ccccc2F)C1=O.
What is the InChIKey of 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is ASVLGEKVUIADLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-19(2)9-10(16)14-12(18)15(11(9)17)8-6-4-3-5-7(8)13/h3-6H,1-2H3,(H,14,16,18).
What are the key properties of 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 282.30 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethyl-lambda4-sulfanylidene)-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2919670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).