3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one

C9H15N3O2S — CID 7422643

IUPAC3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1CCN1CCOCC1
InChIInChI=1S/C9H15N3O2S/c13-8-7-10-9(15)12(8)2-1-11-3-5-14-6-4-11/h1-7H2,(H,10,15)
InChIKeyPJYYQGLUWCYORZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.96
Rot. Bonds3

About 3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one

3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 7422643) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID7422643
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1CCN1CCOCC1
InChIInChI=1S/C9H15N3O2S/c13-8-7-10-9(15)12(8)2-1-11-3-5-14-6-4-11/h1-7H2,(H,10,15)
InChIKeyPJYYQGLUWCYORZ-UHFFFAOYSA-N
XLogP-0.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one (CID 7422643) is 3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is PJYYQGLUWCYORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c13-8-7-10-9(15)12(8)2-1-11-3-5-14-6-4-11/h1-7H2,(H,10,15).
What are the key properties of 3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one?
3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 229.30 g/mol, XLogP of -0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 7422643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).