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

C9H11FN2O3S2 — CID 168714952

IUPAC5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1nccs1
InChIInChI=1S/C9H11FN2O3S2/c10-17(14,15)7-5-9(13)12(6-7)3-1-8-11-2-4-16-8/h2,4,7H,1,3,5-6H2
InChIKeyKRXRDJHMKXVSKB-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.59
Rot. Bonds4

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

5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride (PubChem CID 168714952) 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-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
PubChem CID168714952
Molecular FormulaC9H11FN2O3S2
Molecular Weight278.33 g/mol
Exact Mass278.02
IUPAC Name5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1nccs1
InChIInChI=1S/C9H11FN2O3S2/c10-17(14,15)7-5-9(13)12(6-7)3-1-8-11-2-4-16-8/h2,4,7H,1,3,5-6H2
InChIKeyKRXRDJHMKXVSKB-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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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride (CID 168714952) is 5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCc1nccs1.
What is the InChIKey of 5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The InChIKey is KRXRDJHMKXVSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S2/c10-17(14,15)7-5-9(13)12(6-7)3-1-8-11-2-4-16-8/h2,4,7H,1,3,5-6H2.
What are the key properties of 5-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-[2-(1,3-thiazol-2-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-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).