ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate

C13H15FN2O5S — CID 168675341

IUPACethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H15FN2O5S/c1-2-21-13(18)10-3-4-15-6-11(10)16-7-9(5-12(16)17)8-22(14,19)20/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyGOEKVPRTJDIYQW-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.91
Rot. Bonds5

About ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate

ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate (PubChem CID 168675341) has the molecular formula C13H15FN2O5S and a molecular weight of 330.34 g/mol. Its IUPAC name is ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
PubChem CID168675341
Molecular FormulaC13H15FN2O5S
Molecular Weight330.34 g/mol
Exact Mass330.07
IUPAC Nameethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H15FN2O5S/c1-2-21-13(18)10-3-4-15-6-11(10)16-7-9(5-12(16)17)8-22(14,19)20/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyGOEKVPRTJDIYQW-UHFFFAOYSA-N
XLogP0.91
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
CID 168684151
ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
CID 168693143
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168662324
methyl 2-bromo-5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168675576
[1-(4,5-diamino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677754
[1-(4-amino-5-bromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677750
[1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681206
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168663775
methyl 3-amino-4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168675534
methyl 2-bromo-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168675587
[1-(6-methoxy-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676052
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate (CID 168675341) is ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate is CCOC(=O)c1ccncc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate?
The InChIKey is GOEKVPRTJDIYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5S/c1-2-21-13(18)10-3-4-15-6-11(10)16-7-9(5-12(16)17)8-22(14,19)20/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate?
ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 168675341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).