(2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate

C10H16N2O4S — CID 11379944

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate
SMILESCN(C)CCSCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O4S/c1-11(2)5-6-17-7-10(15)16-12-8(13)3-4-9(12)14/h3-7H2,1-2H3
InChIKeyIELNGTZLFBVKMJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.11
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate (PubChem CID 11379944) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate
PubChem CID11379944
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate
SMILESCN(C)CCSCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O4S/c1-11(2)5-6-17-7-10(15)16-12-8(13)3-4-9(12)14/h3-7H2,1-2H3
InChIKeyIELNGTZLFBVKMJ-UHFFFAOYSA-N
XLogP-0.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane
CID 144633595
(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine
CID 145317347
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[benzoyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetate
CID 167260961
(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)butanoate
CID 138456759
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide
CID 71752826
(2,5-dioxopyrrolidin-1-yl) 4-oxo-4-propylsulfanylbutanoate
CID 90193619
(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate
CID 10659065

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate (CID 11379944) is (2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate is CN(C)CCSCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate?
The InChIKey is IELNGTZLFBVKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-11(2)5-6-17-7-10(15)16-12-8(13)3-4-9(12)14/h3-7H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate has a molecular weight of 260.31 g/mol, XLogP of -0.11, 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-[2-(dimethylamino)ethylsulfanyl]acetate is sourced from PubChem (CID 11379944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).