[1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C8H12FNO4S — CID 168676359

IUPAC[1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1C1COC1
InChIInChI=1S/C8H12FNO4S/c9-15(12,13)5-6-1-8(11)10(2-6)7-3-14-4-7/h6-7H,1-5H2
InChIKeyDKUZJDYJKBKLIR-UHFFFAOYSA-N
MW237.25 g/mol
LogP-0.47
Rot. Bonds3

About [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676359) has the molecular formula C8H12FNO4S and a molecular weight of 237.25 g/mol. Its IUPAC name is [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676359
Molecular FormulaC8H12FNO4S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name[1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1C1COC1
InChIInChI=1S/C8H12FNO4S/c9-15(12,13)5-6-1-8(11)10(2-6)7-3-14-4-7/h6-7H,1-5H2
InChIKeyDKUZJDYJKBKLIR-UHFFFAOYSA-N
XLogP-0.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]azetidine-1-carboxylate
CID 168675053
[5-oxo-1-(2,3,4,5,6-pentafluorophenyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676795
[1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674616
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one
CID 168685168
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677261
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
[5-oxo-1-(1H-pyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677464
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid
CID 168675038
[5-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677031

Frequently Asked Questions

What is the IUPAC name of [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676359) is [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1C1COC1.
What is the InChIKey of [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is DKUZJDYJKBKLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO4S/c9-15(12,13)5-6-1-8(11)10(2-6)7-3-14-4-7/h6-7H,1-5H2.
What are the key properties of [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 237.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxetan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).