3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid

C10H10FN3O5S — CID 168677888

IUPAC3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)5-6-3-7(15)14(4-6)9-8(10(16)17)12-1-2-13-9/h1-2,6H,3-5H2,(H,16,17)
InChIKeyNQBKPBKGCIRQJS-UHFFFAOYSA-N
MW303.27 g/mol
LogP-0.17
Rot. Bonds4

About 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid

3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 168677888) has the molecular formula C10H10FN3O5S and a molecular weight of 303.27 g/mol. Its IUPAC name is 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID168677888
Molecular FormulaC10H10FN3O5S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)5-6-3-7(15)14(4-6)9-8(10(16)17)12-1-2-13-9/h1-2,6H,3-5H2,(H,16,17)
InChIKeyNQBKPBKGCIRQJS-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

5-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 122057411
Methyl 6-bromo-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168675566
Methyl 6-chloro-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168675567
Methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-6-iodopyrazine-2-carboxylate
CID 168675568
Methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168675599
Methyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168675602
6-Bromo-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 168677329
5-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 168677341
6-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 168677752
Methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 168713970
Methyl 6-chloro-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 168713971
Methyl 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-iodopyrazine-2-carboxylate
CID 168713972

Frequently Asked Questions

What is the IUPAC name of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid (CID 168677888) is 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is NQBKPBKGCIRQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5S/c11-20(18,19)5-6-3-7(15)14(4-6)9-8(10(16)17)12-1-2-13-9/h1-2,6H,3-5H2,(H,16,17).
What are the key properties of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid?
3-[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 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 168677888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).