1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride

C5H8FNO3S — CID 165461728

IUPAC1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C5H8FNO3S/c1-7-3-4(2-5(7)8)11(6,9)10/h4H,2-3H2,1H3
InChIKeyFYFWNCMXISPOPT-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.48
Rot. Bonds1

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

1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 165461728) has the molecular formula C5H8FNO3S and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID165461728
Molecular FormulaC5H8FNO3S
Molecular Weight181.19 g/mol
Exact Mass181.02
IUPAC Name1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C5H8FNO3S/c1-7-3-4(2-5(7)8)11(6,9)10/h4H,2-3H2,1H3
InChIKeyFYFWNCMXISPOPT-UHFFFAOYSA-N
XLogP-0.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride (CID 165461728) is 1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride is CN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is FYFWNCMXISPOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO3S/c1-7-3-4(2-5(7)8)11(6,9)10/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride?
1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 181.19 g/mol, XLogP of -0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 165461728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).