[1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

C11H17FN2O4S — CID 59335515

IUPAC[1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCCOCCNC(=O)CCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C11H17FN2O4S/c1-2-18-6-4-13-9(15)3-5-14-10(16)7-8(19-12)11(14)17/h8H,2-7H2,1H3,(H,13,15)
InChIKeyIWVPAAXKWSZTAD-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.27
Rot. Bonds8

About [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

[1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (PubChem CID 59335515) has the molecular formula C11H17FN2O4S and a molecular weight of 292.33 g/mol. Its IUPAC name is [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
PubChem CID59335515
Molecular FormulaC11H17FN2O4S
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name[1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCCOCCNC(=O)CCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C11H17FN2O4S/c1-2-18-6-4-13-9(15)3-5-14-10(16)7-8(19-12)11(14)17/h8H,2-7H2,1H3,(H,13,15)
InChIKeyIWVPAAXKWSZTAD-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite 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-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The IUPAC name of [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (CID 59335515) is [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.
What is the SMILES notation for [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The canonical SMILES for [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is CCOCCNC(=O)CCN1C(=O)CC(SF)C1=O.
What is the InChIKey of [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The InChIKey is IWVPAAXKWSZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S/c1-2-18-6-4-13-9(15)3-5-14-10(16)7-8(19-12)11(14)17/h8H,2-7H2,1H3,(H,13,15).
What are the key properties of [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
[1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite has a molecular weight of 292.33 g/mol, XLogP of 0.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is sourced from PubChem (CID 59335515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).