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

C9H11FN2O3S2 — CID 168676688

IUPAC[5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1Cc1cncs1
InChIInChI=1S/C9H11FN2O3S2/c10-17(14,15)5-7-1-9(13)12(3-7)4-8-2-11-6-16-8/h2,6-7H,1,3-5H2
InChIKeyAEQICNLOJRKEMU-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.79
Rot. Bonds4

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

[5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676688) has the molecular formula C9H11FN2O3S2 and a molecular weight of 278.33 g/mol. Its IUPAC name is [5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676688
Molecular FormulaC9H11FN2O3S2
Molecular Weight278.33 g/mol
Exact Mass278.02
IUPAC Name[5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1Cc1cncs1
InChIInChI=1S/C9H11FN2O3S2/c10-17(14,15)5-7-1-9(13)12(3-7)4-8-2-11-6-16-8/h2,6-7H,1,3-5H2
InChIKeyAEQICNLOJRKEMU-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676688) is [5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1Cc1cncs1.
What is the InChIKey of [5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is AEQICNLOJRKEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S2/c10-17(14,15)5-7-1-9(13)12(3-7)4-8-2-11-6-16-8/h2,6-7H,1,3-5H2.
What are the key properties of [5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 278.33 g/mol, XLogP of 0.79, 4 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-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).