3-propan-2-yl-2-sulfanylideneimidazolidin-4-one

C6H10N2OS — CID 2726741

IUPAC3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)N1C(=O)CNC1=S
InChIInChI=1S/C6H10N2OS/c1-4(2)8-5(9)3-7-6(8)10/h4H,3H2,1-2H3,(H,7,10)
InChIKeyPBPVWMVMZXZYIE-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.11
Rot. Bonds1

About 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one

3-propan-2-yl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2726741) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
PubChem CID2726741
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)N1C(=O)CNC1=S
InChIInChI=1S/C6H10N2OS/c1-4(2)8-5(9)3-7-6(8)10/h4H,3H2,1-2H3,(H,7,10)
InChIKeyPBPVWMVMZXZYIE-UHFFFAOYSA-N
XLogP0.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-propan-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

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one (CID 2726741) is 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one is CC(C)N1C(=O)CNC1=S.
What is the InChIKey of 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is PBPVWMVMZXZYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4(2)8-5(9)3-7-6(8)10/h4H,3H2,1-2H3,(H,7,10).
What are the key properties of 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
3-propan-2-yl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 158.23 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2726741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).