3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one

C7H12N2O2S — CID 130637208

IUPAC3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one
SMILESCCC(CO)N1C(=O)CNC1=S
InChIInChI=1S/C7H12N2O2S/c1-2-5(4-10)9-6(11)3-8-7(9)12/h5,10H,2-4H2,1H3,(H,8,12)
InChIKeyOYENEDXSAINAHK-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.53
Rot. Bonds3

About 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one

3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 130637208) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one
PubChem CID130637208
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one
SMILESCCC(CO)N1C(=O)CNC1=S
InChIInChI=1S/C7H12N2O2S/c1-2-5(4-10)9-6(11)3-8-7(9)12/h5,10H,2-4H2,1H3,(H,8,12)
InChIKeyOYENEDXSAINAHK-UHFFFAOYSA-N
XLogP-0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-hydroxybutan-2-yl)-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

3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione
CID 107861614
3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione
CID 103936477
1-(1-hydroxybutan-2-yl)-4,4-dimethylpiperidine-2,6-dione
CID 62931399
3-[(2S)-1-hydroxybutan-2-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 107861617
3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione
CID 61207899
8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
CID 114010142
2-[(2R)-1-hydroxybutan-2-yl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107861671
(3aS,7aR)-2-[(2R)-1-hydroxybutan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 107861673
2-(1-hydroxybutan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 61207522
3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione
CID 130949581
3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]imidazolidine-2,4-dione
CID 107861540
3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one
CID 7026092

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one (CID 130637208) is 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one is CCC(CO)N1C(=O)CNC1=S.
What is the InChIKey of 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is OYENEDXSAINAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-2-5(4-10)9-6(11)3-8-7(9)12/h5,10H,2-4H2,1H3,(H,8,12).
What are the key properties of 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one?
3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 188.25 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 130637208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).