3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione

C8H10N2O3S — CID 175032332

IUPAC3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(N2CCOCC2)=C1S
InChIInChI=1S/C8H10N2O3S/c11-7-5(6(14)8(12)9-7)10-1-3-13-4-2-10/h1-4H2,(H2,9,11,12,14)
InChIKeyACJMBNJEKVWPSE-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.88
Rot. Bonds1

About 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione

3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione (PubChem CID 175032332) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione
PubChem CID175032332
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(N2CCOCC2)=C1S
InChIInChI=1S/C8H10N2O3S/c11-7-5(6(14)8(12)9-7)10-1-3-13-4-2-10/h1-4H2,(H2,9,11,12,14)
InChIKeyACJMBNJEKVWPSE-UHFFFAOYSA-N
XLogP-0.88
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione?
The IUPAC name of 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione (CID 175032332) is 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione.
What is the SMILES notation for 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione?
The canonical SMILES for 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione is O=C1NC(=O)C(N2CCOCC2)=C1S.
What is the InChIKey of 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione?
The InChIKey is ACJMBNJEKVWPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-7-5(6(14)8(12)9-7)10-1-3-13-4-2-10/h1-4H2,(H2,9,11,12,14).
What are the key properties of 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione?
3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione has a molecular weight of 214.25 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione is sourced from PubChem (CID 175032332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).