5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride

C9H11FN2O3S2 — CID 168714936

IUPAC5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cncs1
InChIInChI=1S/C9H11FN2O3S2/c10-17(14,15)8-3-9(13)12(5-8)2-1-7-4-11-6-16-7/h4,6,8H,1-3,5H2
InChIKeyNSMXBMDQLZAXQO-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.59
Rot. Bonds4

About 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride

5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride (PubChem CID 168714936) has the molecular formula C9H11FN2O3S2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
PubChem CID168714936
Molecular FormulaC9H11FN2O3S2
Molecular Weight278.33 g/mol
Exact Mass278.02
IUPAC Name5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cncs1
InChIInChI=1S/C9H11FN2O3S2/c10-17(14,15)8-3-9(13)12(5-8)2-1-7-4-11-6-16-7/h4,6,8H,1-3,5H2
InChIKeyNSMXBMDQLZAXQO-UHFFFAOYSA-N
XLogP0.59
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]pyrrolidin-2-one
CID 72011920
1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone
CID 164634657
1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
CID 164640452
1-[2-(Fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
CID 126792731
[5-Oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676533
[5-Oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676688
5-Oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride
CID 168715091
2-(1,3-Thiazol-5-yl)-1-thiomorpholin-4-ylethanone
CID 141065533
1-[2-(1,3-Thiazol-5-yl)ethyl]pyrrolidin-2-one
CID 141065534
1-(4-Pyrrolidin-1-ylsulfonylpiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 128271147
1-Pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone
CID 130714974
1-(1,3-Thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 131038136

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride (CID 168714936) is 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCc1cncs1.
What is the InChIKey of 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The InChIKey is NSMXBMDQLZAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S2/c10-17(14,15)8-3-9(13)12(5-8)2-1-7-4-11-6-16-7/h4,6,8H,1-3,5H2.
What are the key properties of 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride has a molecular weight of 278.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).