5-cyclopentyl-2-sulfanylideneimidazolidin-4-one

C8H12N2OS — CID 82997961

IUPAC5-cyclopentyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1C1CCCC1
InChIInChI=1S/C8H12N2OS/c11-7-6(9-8(12)10-7)5-3-1-2-4-5/h5-6H,1-4H2,(H2,9,10,11,12)
InChIKeyDLDVCBOQWBVRKT-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.55
Rot. Bonds1

About 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one

5-cyclopentyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 82997961) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-2-sulfanylideneimidazolidin-4-one
PubChem CID82997961
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-cyclopentyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1C1CCCC1
InChIInChI=1S/C8H12N2OS/c11-7-6(9-8(12)10-7)5-3-1-2-4-5/h5-6H,1-4H2,(H2,9,10,11,12)
InChIKeyDLDVCBOQWBVRKT-UHFFFAOYSA-N
XLogP0.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
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 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one (CID 82997961) is 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)NC1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DLDVCBOQWBVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-7-6(9-8(12)10-7)5-3-1-2-4-5/h5-6H,1-4H2,(H2,9,10,11,12).
What are the key properties of 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one?
5-cyclopentyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 184.26 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 82997961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).