5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid

C10H10FN3O5S — CID 168677341

IUPAC5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)5-6-1-9(15)14(4-6)8-3-12-7(2-13-8)10(16)17/h2-3,6H,1,4-5H2,(H,16,17)
InChIKeyHWDPJMHGRWSYJT-UHFFFAOYSA-N
MW303.27 g/mol
LogP-0.17
Rot. Bonds4

About 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid

5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 168677341) has the molecular formula C10H10FN3O5S and a molecular weight of 303.27 g/mol. Its IUPAC name is 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID168677341
Molecular FormulaC10H10FN3O5S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)5-6-1-9(15)14(4-6)8-3-12-7(2-13-8)10(16)17/h2-3,6H,1,4-5H2,(H,16,17)
InChIKeyHWDPJMHGRWSYJT-UHFFFAOYSA-N
XLogP-0.17
TPSA117.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168681086
4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid
CID 168677386
2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168677514
[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674239
[5-oxo-1-(1H-pyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677464
6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168682617
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
[1-(6-bromo-1,2,4-triazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677351
[1-(6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676206
[1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677743
[1-(3,5-dibromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677358
[1-(4-methoxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675758

Frequently Asked Questions

What is the IUPAC name of 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid (CID 168677341) is 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CC(CS(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is HWDPJMHGRWSYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5S/c11-20(18,19)5-6-1-9(15)14(4-6)8-3-12-7(2-13-8)10(16)17/h2-3,6H,1,4-5H2,(H,16,17).
What are the key properties of 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 168677341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).