(2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate

C15H17NO4S — CID 155271019

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate
SMILESCC(C)c1ccccc1SCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17NO4S/c1-10(2)11-5-3-4-6-12(11)21-9-15(19)20-16-13(17)7-8-14(16)18/h3-6,10H,7-9H2,1-2H3
InChIKeyKZUJJLABFWLSLP-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.51
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate

(2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate (PubChem CID 155271019) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate
PubChem CID155271019
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate
SMILESCC(C)c1ccccc1SCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17NO4S/c1-10(2)11-5-3-4-6-12(11)21-9-15(19)20-16-13(17)7-8-14(16)18/h3-6,10H,7-9H2,1-2H3
InChIKeyKZUJJLABFWLSLP-UHFFFAOYSA-N
XLogP2.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-propan-2-ylbenzoate;2-propan-2-ylbenzoyl chloride
CID 142951226
(2,5-dioxopyrrolidin-1-yl) 2-[(2-nitrophenyl)disulfanyl]acetate
CID 121012277
(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate
CID 10659065
(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane
CID 144633595
[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium
CID 143652418
(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
CID 19969059
[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide
CID 71752826
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313
(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate
CID 166873105
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate (CID 155271019) is (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate is CC(C)c1ccccc1SCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate?
The InChIKey is KZUJJLABFWLSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10(2)11-5-3-4-6-12(11)21-9-15(19)20-16-13(17)7-8-14(16)18/h3-6,10H,7-9H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate?
(2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate has a molecular weight of 307.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate is sourced from PubChem (CID 155271019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).