1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one

C14H19NO4S — CID 3086706

IUPAC1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19NO4S/c1-4-19-14-6-5-13(16)15(14)20(17,18)12-8-10(2)7-11(3)9-12/h7-9,14H,4-6H2,1-3H3
InChIKeyCAFWLZCAKQARGK-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.98
Rot. Bonds4

About 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one

1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one (PubChem CID 3086706) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one
PubChem CID3086706
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19NO4S/c1-4-19-14-6-5-13(16)15(14)20(17,18)12-8-10(2)7-11(3)9-12/h7-9,14H,4-6H2,1-3H3
InChIKeyCAFWLZCAKQARGK-UHFFFAOYSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one (CID 3086706) is 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
The InChIKey is CAFWLZCAKQARGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-4-19-14-6-5-13(16)15(14)20(17,18)12-8-10(2)7-11(3)9-12/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one has a molecular weight of 297.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one is sourced from PubChem (CID 3086706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).