ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate

C13H15FN2O5S — CID 168713761

IUPACethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(N2CC(S(=O)(=O)F)CC2=O)c1
InChIInChI=1S/C13H15FN2O5S/c1-3-21-13(18)9-4-11(8(2)15-6-9)16-7-10(5-12(16)17)22(14,19)20/h4,6,10H,3,5,7H2,1-2H3
InChIKeyLWRICANMPXAUDQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.97
Rot. Bonds4

About ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate

ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate (PubChem CID 168713761) has the molecular formula C13H15FN2O5S and a molecular weight of 330.34 g/mol. Its IUPAC name is ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate
PubChem CID168713761
Molecular FormulaC13H15FN2O5S
Molecular Weight330.34 g/mol
Exact Mass330.07
IUPAC Nameethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(N2CC(S(=O)(=O)F)CC2=O)c1
InChIInChI=1S/C13H15FN2O5S/c1-3-21-13(18)9-4-11(8(2)15-6-9)16-7-10(5-12(16)17)22(14,19)20/h4,6,10H,3,5,7H2,1-2H3
InChIKeyLWRICANMPXAUDQ-UHFFFAOYSA-N
XLogP0.97
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-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 5-fluoro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713737
1-(6-chloro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714532
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713786
ethyl 2-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 168711235
ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 168680845
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785
methyl 5-chloro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713921
methyl 3-cyano-4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713930
1-(4,5-diamino-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716158
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715944
1-(2-amino-5-chloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714295

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate (CID 168713761) is ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C)c(N2CC(S(=O)(=O)F)CC2=O)c1.
What is the InChIKey of ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate?
The InChIKey is LWRICANMPXAUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5S/c1-3-21-13(18)9-4-11(8(2)15-6-9)16-7-10(5-12(16)17)22(14,19)20/h4,6,10H,3,5,7H2,1-2H3.
What are the key properties of ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate?
ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 168713761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).