(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C8H12N2OS — CID 740819

IUPAC(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)[C@H](CC)NC1=S
InChIInChI=1S/C8H12N2OS/c1-3-5-10-7(11)6(4-2)9-8(10)12/h3,6H,1,4-5H2,2H3,(H,9,12)/t6-/m0/s1
InChIKeyQEQUFTUEZWUEAO-LURJTMIESA-N
MW184.26 g/mol
LogP0.67
Rot. Bonds3

About (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 740819) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID740819
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)[C@H](CC)NC1=S
InChIInChI=1S/C8H12N2OS/c1-3-5-10-7(11)6(4-2)9-8(10)12/h3,6H,1,4-5H2,2H3,(H,9,12)/t6-/m0/s1
InChIKeyQEQUFTUEZWUEAO-LURJTMIESA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 740819) is (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)[C@H](CC)NC1=S.
What is the InChIKey of (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is QEQUFTUEZWUEAO-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-5-10-7(11)6(4-2)9-8(10)12/h3,6H,1,4-5H2,2H3,(H,9,12)/t6-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 184.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 740819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).