5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one

C11H14N2O4S — CID 3086699

IUPAC5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H14N2O4S/c1-2-17-11-7-6-10(14)13(11)18(15,16)9-5-3-4-8-12-9/h3-5,8,11H,2,6-7H2,1H3
InChIKeyQNLXHWZUFICEFG-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.76
Rot. Bonds4

About 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one

5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one (PubChem CID 3086699) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one
PubChem CID3086699
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H14N2O4S/c1-2-17-11-7-6-10(14)13(11)18(15,16)9-5-3-4-8-12-9/h3-5,8,11H,2,6-7H2,1H3
InChIKeyQNLXHWZUFICEFG-UHFFFAOYSA-N
XLogP0.76
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one (CID 3086699) is 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)c1ccccn1.
What is the InChIKey of 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one?
The InChIKey is QNLXHWZUFICEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-2-17-11-7-6-10(14)13(11)18(15,16)9-5-3-4-8-12-9/h3-5,8,11H,2,6-7H2,1H3.
What are the key properties of 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one?
5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one has a molecular weight of 270.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one is sourced from PubChem (CID 3086699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).