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

C10H13FN2O3S2 — CID 168676533

IUPAC[5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCc1cncs1
InChIInChI=1S/C10H13FN2O3S2/c11-18(15,16)6-8-3-10(14)13(5-8)2-1-9-4-12-7-17-9/h4,7-8H,1-3,5-6H2
InChIKeyYHRCEFVZXYJPQA-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.83
Rot. Bonds5

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

[5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676533) has the molecular formula C10H13FN2O3S2 and a molecular weight of 292.36 g/mol. Its IUPAC name is [5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676533
Molecular FormulaC10H13FN2O3S2
Molecular Weight292.36 g/mol
Exact Mass292.04
IUPAC Name[5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCc1cncs1
InChIInChI=1S/C10H13FN2O3S2/c11-18(15,16)6-8-3-10(14)13(5-8)2-1-9-4-12-7-17-9/h4,7-8H,1-3,5-6H2
InChIKeyYHRCEFVZXYJPQA-UHFFFAOYSA-N
XLogP0.83
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.83
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-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676533) is [5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCc1cncs1.
What is the InChIKey of [5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is YHRCEFVZXYJPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S2/c11-18(15,16)6-8-3-10(14)13(5-8)2-1-9-4-12-7-17-9/h4,7-8H,1-3,5-6H2.
What are the key properties of [5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 292.36 g/mol, XLogP of 0.83, 5 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]pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).