1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione

C10H14N2O3S — CID 175456396

IUPAC1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCSC1=C(N2CCOCC2)C(=O)N(C)C1=O
InChIInChI=1S/C10H14N2O3S/c1-11-9(13)7(8(16-2)10(11)14)12-3-5-15-6-4-12/h3-6H2,1-2H3
InChIKeyCOSXKBXNHSOIOA-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.11
Rot. Bonds2

About 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione

1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 175456396) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID175456396
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCSC1=C(N2CCOCC2)C(=O)N(C)C1=O
InChIInChI=1S/C10H14N2O3S/c1-11-9(13)7(8(16-2)10(11)14)12-3-5-15-6-4-12/h3-6H2,1-2H3
InChIKeyCOSXKBXNHSOIOA-UHFFFAOYSA-N
XLogP-0.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione (CID 175456396) is 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione is CSC1=C(N2CCOCC2)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is COSXKBXNHSOIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-11-9(13)7(8(16-2)10(11)14)12-3-5-15-6-4-12/h3-6H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione?
1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 242.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanyl-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 175456396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).