3-(2,5-dioxopyrrolidin-1-yl)propanethioamide

C7H10N2O2S — CID 24709121

IUPAC3-(2,5-dioxopyrrolidin-1-yl)propanethioamide
SMILESNC(=S)CCN1C(=O)CCC1=O
InChIInChI=1S/C7H10N2O2S/c8-5(12)3-4-9-6(10)1-2-7(9)11/h1-4H2,(H2,8,12)
InChIKeyUVGQLTUZBUIPIK-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.19
Rot. Bonds3

About 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide

3-(2,5-dioxopyrrolidin-1-yl)propanethioamide (PubChem CID 24709121) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)propanethioamide
PubChem CID24709121
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)propanethioamide
SMILESNC(=S)CCN1C(=O)CCC1=O
InChIInChI=1S/C7H10N2O2S/c8-5(12)3-4-9-6(10)1-2-7(9)11/h1-4H2,(H2,8,12)
InChIKeyUVGQLTUZBUIPIK-UHFFFAOYSA-N
XLogP-0.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide (CID 24709121) is 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide is NC(=S)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide?
The InChIKey is UVGQLTUZBUIPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-5(12)3-4-9-6(10)1-2-7(9)11/h1-4H2,(H2,8,12).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide?
3-(2,5-dioxopyrrolidin-1-yl)propanethioamide has a molecular weight of 186.24 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)propanethioamide is sourced from PubChem (CID 24709121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).