5-oxopyrrolidine-3-sulfonyl fluoride

C4H6FNO3S — CID 131071626

IUPAC5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1
InChIInChI=1S/C4H6FNO3S/c5-10(8,9)3-1-4(7)6-2-3/h3H,1-2H2,(H,6,7)
InChIKeyPVPVNDXPXJAECL-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.83
Rot. Bonds1

About 5-oxopyrrolidine-3-sulfonyl fluoride

5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 131071626) has the molecular formula C4H6FNO3S and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID131071626
Molecular FormulaC4H6FNO3S
Molecular Weight167.16 g/mol
Exact Mass167.01
IUPAC Name5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1
InChIInChI=1S/C4H6FNO3S/c5-10(8,9)3-1-4(7)6-2-3/h3H,1-2H2,(H,6,7)
InChIKeyPVPVNDXPXJAECL-UHFFFAOYSA-N
XLogP-0.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxopyrrolidine-3-sulfonyl fluoride (CID 131071626) is 5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1.
What is the InChIKey of 5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is PVPVNDXPXJAECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO3S/c5-10(8,9)3-1-4(7)6-2-3/h3H,1-2H2,(H,6,7).
What are the key properties of 5-oxopyrrolidine-3-sulfonyl fluoride?
5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 167.16 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 131071626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).