(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane

C11H17NO5S — CID 144633595

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane
SMILESCC(=O)SCC(=O)ON1C(=O)CCC1=O.CCC
InChIInChI=1S/C8H9NO5S.C3H8/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12;1-3-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyMXFJPTZSDYQSPA-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.29
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane

(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane (PubChem CID 144633595) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane
PubChem CID144633595
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane
SMILESCC(=O)SCC(=O)ON1C(=O)CCC1=O.CCC
InChIInChI=1S/C8H9NO5S.C3H8/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12;1-3-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyMXFJPTZSDYQSPA-UHFFFAOYSA-N
XLogP1.29
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;(2,5-dioxopyrrolidin-1-yl) 2-(2-acetylsulfanylethoxy)acetate;(2,5-dioxopyrrolidin-1-yl) 3-acetylsulfanylpropanoate
CID 158621955
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane
CID 144985124
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 102565383
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 100910541
(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate
CID 10659065
(2,5-dioxopyrrolidin-1-yl) 4-oxo-4-propylsulfanylbutanoate
CID 90193619
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-acetylsulfanyl-2-methylbutan-2-yl)oxyethoxy]-4-methylpentanoate
CID 154935137
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane (CID 144633595) is (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane is CC(=O)SCC(=O)ON1C(=O)CCC1=O.CCC.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane?
The InChIKey is MXFJPTZSDYQSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S.C3H8/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12;1-3-2/h2-4H2,1H3;3H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane?
(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane has a molecular weight of 275.33 g/mol, XLogP of 1.29, 3 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-acetylsulfanylacetate;propane is sourced from PubChem (CID 144633595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).