5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride

C8H8FN3O4S — CID 168716295

IUPAC5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncc[nH]c1=O
InChIInChI=1S/C8H8FN3O4S/c9-17(15,16)5-3-6(13)12(4-5)7-8(14)11-2-1-10-7/h1-2,5H,3-4H2,(H,11,14)
InChIKeyMNUZHKMZPAFJMH-UHFFFAOYSA-N
MW261.23 g/mol
LogP-0.83
Rot. Bonds2

About 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168716295) has the molecular formula C8H8FN3O4S and a molecular weight of 261.23 g/mol. Its IUPAC name is 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168716295
Molecular FormulaC8H8FN3O4S
Molecular Weight261.23 g/mol
Exact Mass261.02
IUPAC Name5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncc[nH]c1=O
InChIInChI=1S/C8H8FN3O4S/c9-17(15,16)5-3-6(13)12(4-5)7-8(14)11-2-1-10-7/h1-2,5H,3-4H2,(H,11,14)
InChIKeyMNUZHKMZPAFJMH-UHFFFAOYSA-N
XLogP-0.83
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715839
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 168716292
5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716296
1-(4-methyl-3-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714620
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305
5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716301
1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715776
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716150
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714641
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride (CID 168716295) is 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ncc[nH]c1=O.
What is the InChIKey of 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is MNUZHKMZPAFJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O4S/c9-17(15,16)5-3-6(13)12(4-5)7-8(14)11-2-1-10-7/h1-2,5H,3-4H2,(H,11,14).
What are the key properties of 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 261.23 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).