[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

C8H9FN2O3S2 — CID 168677894

IUPAC[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1nccs1
InChIInChI=1S/C8H9FN2O3S2/c9-16(13,14)5-6-3-7(12)11(4-6)8-10-1-2-15-8/h1-2,6H,3-5H2
InChIKeyTWUCHFVANASLOR-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.80
Rot. Bonds3

About [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677894) has the molecular formula C8H9FN2O3S2 and a molecular weight of 264.30 g/mol. Its IUPAC name is [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677894
Molecular FormulaC8H9FN2O3S2
Molecular Weight264.30 g/mol
Exact Mass264.00
IUPAC Name[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1nccs1
InChIInChI=1S/C8H9FN2O3S2/c9-16(13,14)5-6-3-7(12)11(4-6)8-10-1-2-15-8/h1-2,6H,3-5H2
InChIKeyTWUCHFVANASLOR-UHFFFAOYSA-N
XLogP0.80
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677894) is [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1nccs1.
What is the InChIKey of [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is TWUCHFVANASLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S2/c9-16(13,14)5-6-3-7(12)11(4-6)8-10-1-2-15-8/h1-2,6H,3-5H2.
What are the key properties of [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 264.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).