(2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate

C14H15NO7S — CID 89371565

IUPAC(2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate
SMILESCc1ccc(S(=O)(=O)O[C@H](C)C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO7S/c1-9-3-5-11(6-4-9)23(19,20)22-10(2)14(18)21-15-12(16)7-8-13(15)17/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyDNMBZNHIJJUZOQ-SNVBAGLBSA-N
MW341.34 g/mol
LogP0.70
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate

(2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate (PubChem CID 89371565) has the molecular formula C14H15NO7S and a molecular weight of 341.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate
PubChem CID89371565
Molecular FormulaC14H15NO7S
Molecular Weight341.34 g/mol
Exact Mass341.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate
SMILESCc1ccc(S(=O)(=O)O[C@H](C)C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO7S/c1-9-3-5-11(6-4-9)23(19,20)22-10(2)14(18)21-15-12(16)7-8-13(15)17/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyDNMBZNHIJJUZOQ-SNVBAGLBSA-N
XLogP0.70
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methylphenyl)sulfonyloxypropanoate
CID 562846
[4-[(2S)-2-(4-methylphenyl)sulfonyloxypropanoyl]oxyphenyl] (2S)-2-(4-methylphenyl)sulfonyloxypropanoate
CID 130471415
3-oxobutan-2-yl 4-methylbenzenesulfonate
CID 11139291
propyl 2-(4-methylphenyl)sulfonyloxypropanoate
CID 138738498
butyl (2S)-2-(4-methylphenyl)sulfonyloxypropanoate
CID 71351650
benzhydryl (2S)-2-(4-methylphenyl)sulfonyloxypropanoate
CID 14402818
1-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
CID 54380954
(1,3-dioxoisoindol-2-yl) 4-methylbenzenesulfonate;(2,5-dioxopyrrolidin-1-yl) 4-methylbenzenesulfonate
CID 87855756
methyl 3-methyl-2-(4-methylphenyl)sulfonyloxybutanoate
CID 15506021
[(2R,3S)-3-(4-methylphenyl)sulfonyloxybutan-2-yl] acetate
CID 13261107
methyl (3R)-3-(4-methylphenyl)sulfonyloxybutanoate
CID 10378536
piperidine-1-carboxylic acid;propan-2-yl 4-methylbenzenesulfonate
CID 174656480

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate (CID 89371565) is (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate is Cc1ccc(S(=O)(=O)O[C@H](C)C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate?
The InChIKey is DNMBZNHIJJUZOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15NO7S/c1-9-3-5-11(6-4-9)23(19,20)22-10(2)14(18)21-15-12(16)7-8-13(15)17/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate?
(2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate has a molecular weight of 341.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2R)-2-(4-methylphenyl)sulfonyloxypropanoate is sourced from PubChem (CID 89371565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).