3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

C15H20N2OS — CID 11334881

IUPAC3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=S)N(c2c(C)cccc2C)C(=O)C1(C)C
InChIInChI=1S/C15H20N2OS/c1-6-16-14(19)17(13(18)15(16,4)5)12-10(2)8-7-9-11(12)3/h7-9H,6H2,1-5H3
InChIKeyLODXUAMMYRIYMY-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.04
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 11334881) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID11334881
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=S)N(c2c(C)cccc2C)C(=O)C1(C)C
InChIInChI=1S/C15H20N2OS/c1-6-16-14(19)17(13(18)15(16,4)5)12-10(2)8-7-9-11(12)3/h7-9H,6H2,1-5H3
InChIKeyLODXUAMMYRIYMY-UHFFFAOYSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-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

Pyrrocaine
CID 24361
N-(2,6-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846700
2-(3,5-dimethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3325517
1-(2,6-Dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2373826
(5E)-5-(1-ethylquinolin-2(1H)-ylidene)-1,3-dimethyl-2-thioxoimidazolidin-4-one
CID 6187172
N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 2795841
1,3-Dimethyl-5-[3-methyl-4-(1-pyrrolidinyl)benzylidene]-2-thioxo-4-imidazolidinone
CID 891056
5-(1-ethyl-6-methyl-2(1H)-quinolinylidene)-1,3-dimethyl-2-thioxo-4-imidazolidinone
CID 1731145
5-[3-Methyl-4-(1-pyrrolidinyl)benzylidene]-3-propyl-2-thioxo-4-imidazolidinone
CID 5400800
(5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 6103449
2-Iodo-4-(3,4,4-trimethyl-5-oxo-2-thioxo-imidazolidin-1-yl)-benzonitrile
CID 10385374
4-(3-Butyl-4,4-dimethyl-5-oxo-2-thioxo-imidazolidin-1-yl)-2-iodo-benzonitrile
CID 44395468

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 11334881) is 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is CCN1C(=S)N(c2c(C)cccc2C)C(=O)C1(C)C.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LODXUAMMYRIYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-6-16-14(19)17(13(18)15(16,4)5)12-10(2)8-7-9-11(12)3/h7-9H,6H2,1-5H3.
What are the key properties of 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 276.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-ethyl-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 11334881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).