1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone

C6H10N2OS — CID 3042768

IUPAC1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)C1=S
InChIInChI=1S/C6H10N2OS/c1-5(9)8-4-3-7(2)6(8)10/h3-4H2,1-2H3
InChIKeyWJAFILONZSXFET-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.07
Rot. Bonds

About 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone

1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone (PubChem CID 3042768) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone
PubChem CID3042768
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)C1=S
InChIInChI=1S/C6H10N2OS/c1-5(9)8-4-3-7(2)6(8)10/h3-4H2,1-2H3
InChIKeyWJAFILONZSXFET-UHFFFAOYSA-N
XLogP0.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone 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-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone?
The IUPAC name of 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone (CID 3042768) is 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone is CC(=O)N1CCN(C)C1=S.
What is the InChIKey of 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone?
The InChIKey is WJAFILONZSXFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5(9)8-4-3-7(2)6(8)10/h3-4H2,1-2H3.
What are the key properties of 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone?
1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone has a molecular weight of 158.23 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone is sourced from PubChem (CID 3042768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).