3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one

C6H10N2OS — CID 5001929

IUPAC3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)CN(C)C1=S
InChIInChI=1S/C6H10N2OS/c1-3-8-5(9)4-7(2)6(8)10/h3-4H2,1-2H3
InChIKeyQVLPHASWYNLQSK-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.07
Rot. Bonds1

About 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one

3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5001929) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5001929
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)CN(C)C1=S
InChIInChI=1S/C6H10N2OS/c1-3-8-5(9)4-7(2)6(8)10/h3-4H2,1-2H3
InChIKeyQVLPHASWYNLQSK-UHFFFAOYSA-N
XLogP0.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one (CID 5001929) is 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one is CCN1C(=O)CN(C)C1=S.
What is the InChIKey of 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is QVLPHASWYNLQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-8-5(9)4-7(2)6(8)10/h3-4H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one?
3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 158.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5001929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).