3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione

C11H16N2O2S — CID 106325819

IUPAC3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCN2CCSCC2)C1=O
InChIInChI=1S/C11H16N2O2S/c1-9-8-10(14)13(11(9)15)3-2-12-4-6-16-7-5-12/h8H,2-7H2,1H3
InChIKeyWOJHGSPSSBKTRM-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.35
Rot. Bonds3

About 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione

3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione (PubChem CID 106325819) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione
PubChem CID106325819
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCN2CCSCC2)C1=O
InChIInChI=1S/C11H16N2O2S/c1-9-8-10(14)13(11(9)15)3-2-12-4-6-16-7-5-12/h8H,2-7H2,1H3
InChIKeyWOJHGSPSSBKTRM-UHFFFAOYSA-N
XLogP0.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide
CID 60864499
3-methyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione
CID 43346022
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 79071422
3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976530
3-[2-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoic acid
CID 67514110
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione
CID 115281563
N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide
CID 91837660
1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103815407
5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 23733624
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
CID 129224231
zinc;bis(12-(3-methyl-2,5-dioxopyrrol-1-yl)dodecanoate);bis(13-(3-methyl-2,5-dioxopyrrol-1-yl)tridecanoic acid)
CID 173305099
1-[4,4-bis(2-methylbutan-2-ylperoxy)pentyl]-3-methylpyrrole-2,5-dione
CID 57198051

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione (CID 106325819) is 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione is CC1=CC(=O)N(CCN2CCSCC2)C1=O.
What is the InChIKey of 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione?
The InChIKey is WOJHGSPSSBKTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-8-10(14)13(11(9)15)3-2-12-4-6-16-7-5-12/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione?
3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione has a molecular weight of 240.33 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 106325819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).