5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride

C8H8FN3O3S — CID 168716305

IUPAC5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccncn1
InChIInChI=1S/C8H8FN3O3S/c9-16(14,15)6-3-8(13)12(4-6)7-1-2-10-5-11-7/h1-2,5-6H,3-4H2
InChIKeyMAKJBPBTQFBLRC-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.12
Rot. Bonds2

About 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride

5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride (PubChem CID 168716305) has the molecular formula C8H8FN3O3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
PubChem CID168716305
Molecular FormulaC8H8FN3O3S
Molecular Weight245.23 g/mol
Exact Mass245.03
IUPAC Name5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccncn1
InChIInChI=1S/C8H8FN3O3S/c9-16(14,15)6-3-8(13)12(4-6)7-1-2-10-5-11-7/h1-2,5-6H,3-4H2
InChIKeyMAKJBPBTQFBLRC-UHFFFAOYSA-N
XLogP-0.12
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715532
1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714555
1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715540
(5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674585
4-(chloromethyl)-1-pyrimidin-4-ylpyrrolidin-2-one
CID 168509710
1-(4-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715715
4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168715696
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716296
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 168716292
5-oxo-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715480
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride
CID 168716040

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride (CID 168716305) is 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccncn1.
What is the InChIKey of 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride?
The InChIKey is MAKJBPBTQFBLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O3S/c9-16(14,15)6-3-8(13)12(4-6)7-1-2-10-5-11-7/h1-2,5-6H,3-4H2.
What are the key properties of 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride?
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride has a molecular weight of 245.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).