1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione

C8H9NO4S — CID 59827394

IUPAC1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione
SMILESC=CS(=O)(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4S/c1-2-14(12,13)6-5-9-7(10)3-4-8(9)11/h2-4H,1,5-6H2
InChIKeyNJPKQUSIMSTSJT-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.53
Rot. Bonds4

About 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione

1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione (PubChem CID 59827394) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione
PubChem CID59827394
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione
SMILESC=CS(=O)(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4S/c1-2-14(12,13)6-5-9-7(10)3-4-8(9)11/h2-4H,1,5-6H2
InChIKeyNJPKQUSIMSTSJT-UHFFFAOYSA-N
XLogP-0.53
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-ethenylsulfonylethyl)pyrrole-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

Related Compounds

1-[2-[2-(2,5-dioxopyrrol-1-yl)ethylsulfonyl]ethyl]pyrrole-2,5-dione;1-ethenylsulfonylethene;pyrrole-2,5-dione
CID 159519494
1-pent-4-enylpyrrole-2,5-dione
CID 15519463
3-(2,5-dioxopyrrol-1-yl)propane-1-sulfonic acid
CID 90230052
1-oct-7-enylpyrrole-2,5-dione
CID 175459396
1-undec-10-enylpyrrole-2,5-dione
CID 86066335
1-(2-but-3-enoxyethyl)pyrrole-2,5-dione
CID 106402479
1-(2-phosphanylethyl)pyrrole-2,5-dione
CID 170722879
1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde
CID 160814240
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide
CID 43546111
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide
CID 118485994
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide
CID 161202477

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione (CID 59827394) is 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione is C=CS(=O)(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione?
The InChIKey is NJPKQUSIMSTSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-2-14(12,13)6-5-9-7(10)3-4-8(9)11/h2-4H,1,5-6H2.
What are the key properties of 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione?
1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione has a molecular weight of 215.23 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylsulfonylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 59827394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).