(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate

C10H15NO5S — CID 10659065

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate
SMILESCCOC(C)SCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H15NO5S/c1-3-15-7(2)17-6-10(14)16-11-8(12)4-5-9(11)13/h7H,3-6H2,1-2H3
InChIKeyMGNXBHPHCKAJKU-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.71
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate (PubChem CID 10659065) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate
PubChem CID10659065
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate
SMILESCCOC(C)SCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H15NO5S/c1-3-15-7(2)17-6-10(14)16-11-8(12)4-5-9(11)13/h7H,3-6H2,1-2H3
InChIKeyMGNXBHPHCKAJKU-UHFFFAOYSA-N
XLogP0.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate 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

(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane
CID 144633595
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane
CID 158347666
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate
CID 159218851
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate
CID 155271019
(2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate
CID 87926400
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoate
CID 135157347

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate (CID 10659065) is (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate is CCOC(C)SCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate?
The InChIKey is MGNXBHPHCKAJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-3-15-7(2)17-6-10(14)16-11-8(12)4-5-9(11)13/h7H,3-6H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate has a molecular weight of 261.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate is sourced from PubChem (CID 10659065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).