2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride

C7H12FNO3S — CID 142970655

IUPAC2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride
SMILESCC1CCC(=O)N1CCS(=O)(=O)F
InChIInChI=1S/C7H12FNO3S/c1-6-2-3-7(10)9(6)4-5-13(8,11)12/h6H,2-5H2,1H3
InChIKeyOGYFRLUVLJEGIH-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.30
Rot. Bonds3

About 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride

2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride (PubChem CID 142970655) has the molecular formula C7H12FNO3S and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride
PubChem CID142970655
Molecular FormulaC7H12FNO3S
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride
SMILESCC1CCC(=O)N1CCS(=O)(=O)F
InChIInChI=1S/C7H12FNO3S/c1-6-2-3-7(10)9(6)4-5-13(8,11)12/h6H,2-5H2,1H3
InChIKeyOGYFRLUVLJEGIH-UHFFFAOYSA-N
XLogP0.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-5-oxopyrrolidine-3-sulfonyl chloride
CID 121553054
2-Oxo-2-(2-oxopyrrolidin-1-yl)ethanesulfonyl fluoride
CID 88004290
1-Ethyl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 165461338
1-Methyl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 165461728
(5-Oxopyrrolidin-2-yl)methanesulfonyl fluoride
CID 165481701
1-Cyclopropyl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 165863379
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-(5-Methylhexan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674705
(1-Butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
(5-Oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674803
(1-Hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674808
(1-Heptan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674810

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride (CID 142970655) is 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride is CC1CCC(=O)N1CCS(=O)(=O)F.
What is the InChIKey of 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride?
The InChIKey is OGYFRLUVLJEGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3S/c1-6-2-3-7(10)9(6)4-5-13(8,11)12/h6H,2-5H2,1H3.
What are the key properties of 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride?
2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride has a molecular weight of 209.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 142970655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).