1-pentyl-2-sulfanylideneimidazolidin-4-one

C8H14N2OS — CID 87319308

IUPAC1-pentyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCCCN1CC(=O)NC1=S
InChIInChI=1S/C8H14N2OS/c1-2-3-4-5-10-6-7(11)9-8(10)12/h2-6H2,1H3,(H,9,11,12)
InChIKeyBIECHNFTIAQWIN-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.89
Rot. Bonds4

About 1-pentyl-2-sulfanylideneimidazolidin-4-one

1-pentyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 87319308) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-pentyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-pentyl-2-sulfanylideneimidazolidin-4-one
PubChem CID87319308
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-pentyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCCCN1CC(=O)NC1=S
InChIInChI=1S/C8H14N2OS/c1-2-3-4-5-10-6-7(11)9-8(10)12/h2-6H2,1H3,(H,9,11,12)
InChIKeyBIECHNFTIAQWIN-UHFFFAOYSA-N
XLogP0.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pentyl-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

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-pentyl-2-sulfanylideneimidazolidin-4-one (CID 87319308) is 1-pentyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-pentyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-pentyl-2-sulfanylideneimidazolidin-4-one is CCCCCN1CC(=O)NC1=S.
What is the InChIKey of 1-pentyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is BIECHNFTIAQWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-3-4-5-10-6-7(11)9-8(10)12/h2-6H2,1H3,(H,9,11,12).
What are the key properties of 1-pentyl-2-sulfanylideneimidazolidin-4-one?
1-pentyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 186.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 87319308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).