3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide

C9H15N3O2S — CID 87505920

IUPAC3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide
SMILESCC(C)C1C(=O)NC(=S)N1CCC(N)=O
InChIInChI=1S/C9H15N3O2S/c1-5(2)7-8(14)11-9(15)12(7)4-3-6(10)13/h5,7H,3-4H2,1-2H3,(H2,10,13)(H,11,14,15)
InChIKeyRJSUOKHLZVLBCH-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.40
Rot. Bonds4

About 3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide

3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide (PubChem CID 87505920) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide
PubChem CID87505920
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide
SMILESCC(C)C1C(=O)NC(=S)N1CCC(N)=O
InChIInChI=1S/C9H15N3O2S/c1-5(2)7-8(14)11-9(15)12(7)4-3-6(10)13/h5,7H,3-4H2,1-2H3,(H2,10,13)(H,11,14,15)
InChIKeyRJSUOKHLZVLBCH-UHFFFAOYSA-N
XLogP-0.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide?
The IUPAC name of 3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide (CID 87505920) is 3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide.
What is the SMILES notation for 3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide?
The canonical SMILES for 3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide is CC(C)C1C(=O)NC(=S)N1CCC(N)=O.
What is the InChIKey of 3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide?
The InChIKey is RJSUOKHLZVLBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(2)7-8(14)11-9(15)12(7)4-3-6(10)13/h5,7H,3-4H2,1-2H3,(H2,10,13)(H,11,14,15).
What are the key properties of 3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide?
3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide has a molecular weight of 229.30 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)propanamide is sourced from PubChem (CID 87505920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).