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

C15H18N2OS — CID 2901045

IUPAC3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(c2ccccc2)NC(=S)N1C1CCCCC1
InChIInChI=1S/C15H18N2OS/c18-14-13(11-7-3-1-4-8-11)16-15(19)17(14)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,16,19)
InChIKeyWOHNFMZEOMNSIH-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.78
Rot. Bonds2

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

3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2901045) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2901045
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(c2ccccc2)NC(=S)N1C1CCCCC1
InChIInChI=1S/C15H18N2OS/c18-14-13(11-7-3-1-4-8-11)16-15(19)17(14)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,16,19)
InChIKeyWOHNFMZEOMNSIH-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.78
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-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one (CID 2901045) is 3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1C(c2ccccc2)NC(=S)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is WOHNFMZEOMNSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-14-13(11-7-3-1-4-8-11)16-15(19)17(14)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,16,19).
What are the key properties of 3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one?
3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 274.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2901045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).