6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid

C10H10FN3O5S — CID 168677752

IUPAC6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)5-6-1-9(15)14(4-6)8-3-12-2-7(13-8)10(16)17/h2-3,6H,1,4-5H2,(H,16,17)
InChIKeyOGXYOUSHFPAWEA-UHFFFAOYSA-N
MW303.27 g/mol
LogP-0.17
Rot. Bonds4

About 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid

6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 168677752) has the molecular formula C10H10FN3O5S and a molecular weight of 303.27 g/mol. Its IUPAC name is 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID168677752
Molecular FormulaC10H10FN3O5S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)5-6-1-9(15)14(4-6)8-3-12-2-7(13-8)10(16)17/h2-3,6H,1,4-5H2,(H,16,17)
InChIKeyOGXYOUSHFPAWEA-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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid (CID 168677752) is 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cncc(N2CC(CS(=O)(=O)F)CC2=O)n1.
What is the InChIKey of 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is OGXYOUSHFPAWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5S/c11-20(18,19)5-6-1-9(15)14(4-6)8-3-12-2-7(13-8)10(16)17/h2-3,6H,1,4-5H2,(H,16,17).
What are the key properties of 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
6-[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 6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 168677752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).