3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one

C11H18N2OS — CID 3144188

IUPAC3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCC1NC(=S)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H18N2OS/c1-2-9-10(14)13(11(15)12-9)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,15)
InChIKeyYSTZOLLAIWSMNH-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.81
Rot. Bonds2

About 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one

3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3144188) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3144188
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCC1NC(=S)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H18N2OS/c1-2-9-10(14)13(11(15)12-9)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,15)
InChIKeyYSTZOLLAIWSMNH-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one (CID 3144188) is 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one is CCC1NC(=S)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is YSTZOLLAIWSMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-9-10(14)13(11(15)12-9)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,15).
What are the key properties of 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one?
3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 226.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-ethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3144188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).