(2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate

C9H13NO6S — CID 91622341

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate
SMILESCCCS(=O)(=O)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO6S/c1-2-5-17(14,15)6-9(13)16-10-7(11)3-4-8(10)12/h2-6H2,1H3
InChIKeyJWPQLOPRZPOSTJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP-0.58
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate

(2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate (PubChem CID 91622341) has the molecular formula C9H13NO6S and a molecular weight of 263.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate
PubChem CID91622341
Molecular FormulaC9H13NO6S
Molecular Weight263.27 g/mol
Exact Mass263.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate
SMILESCCCS(=O)(=O)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO6S/c1-2-5-17(14,15)6-9(13)16-10-7(11)3-4-8(10)12/h2-6H2,1H3
InChIKeyJWPQLOPRZPOSTJ-UHFFFAOYSA-N
XLogP-0.58
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate
CID 91622342
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
CID 90296712
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
ethyl 2-propylsulfonylacetate
CID 21245347
3-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(methoxymethyl) propanedioate
CID 159591316
(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane
CID 144633595
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecane-1-sulfonic acid
CID 71468135
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate (CID 91622341) is (2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate is CCCS(=O)(=O)CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate?
The InChIKey is JWPQLOPRZPOSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6S/c1-2-5-17(14,15)6-9(13)16-10-7(11)3-4-8(10)12/h2-6H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate?
(2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate has a molecular weight of 263.27 g/mol, XLogP of -0.58, 5 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-propylsulfonylacetate is sourced from PubChem (CID 91622341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).