1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride

C6H10FNO3S — CID 165461338

IUPAC1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C6H10FNO3S/c1-2-8-4-5(3-6(8)9)12(7,10)11/h5H,2-4H2,1H3
InChIKeyLCNQJUAKKKKIPE-UHFFFAOYSA-N
MW195.21 g/mol
LogP-0.09
Rot. Bonds2

About 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride

1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 165461338) has the molecular formula C6H10FNO3S and a molecular weight of 195.21 g/mol. Its IUPAC name is 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID165461338
Molecular FormulaC6H10FNO3S
Molecular Weight195.21 g/mol
Exact Mass195.04
IUPAC Name1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C6H10FNO3S/c1-2-8-4-5(3-6(8)9)12(7,10)11/h5H,2-4H2,1H3
InChIKeyLCNQJUAKKKKIPE-UHFFFAOYSA-N
XLogP-0.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride (CID 165461338) is 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride is CCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is LCNQJUAKKKKIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3S/c1-2-8-4-5(3-6(8)9)12(7,10)11/h5H,2-4H2,1H3.
What are the key properties of 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride?
1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 195.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 165461338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).