3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione

C9H12N2O3S — CID 175208320

IUPAC3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione
SMILESCSC1CN(C2=CC(=O)NC2=O)CCO1
InChIInChI=1S/C9H12N2O3S/c1-15-8-5-11(2-3-14-8)6-4-7(12)10-9(6)13/h4,8H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyFUYWJLPKGWAYRS-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.45
Rot. Bonds2

About 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione

3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione (PubChem CID 175208320) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione
PubChem CID175208320
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione
SMILESCSC1CN(C2=CC(=O)NC2=O)CCO1
InChIInChI=1S/C9H12N2O3S/c1-15-8-5-11(2-3-14-8)6-4-7(12)10-9(6)13/h4,8H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyFUYWJLPKGWAYRS-UHFFFAOYSA-N
XLogP-0.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Thiomorpholinyl maleimide
CID 129797982
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
3-[3-(Deuteriomethylsulfanyl)morpholin-4-yl]pyrrole-2,5-dione
CID 162720822
3-[3-(Deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione
CID 162720824
3-(2-Methylselanylmorpholin-4-yl)pyrrole-2,5-dione
CID 175213617
1-Methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 175456396

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione (CID 175208320) is 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione is CSC1CN(C2=CC(=O)NC2=O)CCO1.
What is the InChIKey of 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione?
The InChIKey is FUYWJLPKGWAYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-15-8-5-11(2-3-14-8)6-4-7(12)10-9(6)13/h4,8H,2-3,5H2,1H3,(H,10,12,13).
What are the key properties of 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione?
3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione has a molecular weight of 228.27 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylmorpholin-4-yl)pyrrole-2,5-dione is sourced from PubChem (CID 175208320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).