2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide

C12H20N2O4S — CID 126821178

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide
SMILESCCC1(CNS(=O)(=O)CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C12H20N2O4S/c1-2-12(5-6-12)9-13-19(17,18)8-7-14-10(15)3-4-11(14)16/h13H,2-9H2,1H3
InChIKeyTVQGJWCGVTYNEM-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.25
Rot. Bonds7

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide (PubChem CID 126821178) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide
PubChem CID126821178
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide
SMILESCCC1(CNS(=O)(=O)CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C12H20N2O4S/c1-2-12(5-6-12)9-13-19(17,18)8-7-14-10(15)3-4-11(14)16/h13H,2-9H2,1H3
InChIKeyTVQGJWCGVTYNEM-UHFFFAOYSA-N
XLogP0.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide (CID 126821178) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide is CCC1(CNS(=O)(=O)CCN2C(=O)CCC2=O)CC1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide?
The InChIKey is TVQGJWCGVTYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-2-12(5-6-12)9-13-19(17,18)8-7-14-10(15)3-4-11(14)16/h13H,2-9H2,1H3.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-ethylcyclopropyl)methyl]ethanesulfonamide is sourced from PubChem (CID 126821178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).