methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate

C8H9FO4S2 — CID 156791450

IUPACmethyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)c1csc(F)c1
InChIInChI=1S/C8H9FO4S2/c1-13-8(10)2-3-15(11,12)6-4-7(9)14-5-6/h4-5H,2-3H2,1H3
InChIKeyFEKGBNNTJAZOGY-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.22
Rot. Bonds4

About methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate

methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate (PubChem CID 156791450) has the molecular formula C8H9FO4S2 and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate
PubChem CID156791450
Molecular FormulaC8H9FO4S2
Molecular Weight252.29 g/mol
Exact Mass251.99
IUPAC Namemethyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)c1csc(F)c1
InChIInChI=1S/C8H9FO4S2/c1-13-8(10)2-3-15(11,12)6-4-7(9)14-5-6/h4-5H,2-3H2,1H3
InChIKeyFEKGBNNTJAZOGY-UHFFFAOYSA-N
XLogP1.22
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate?
The IUPAC name of methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate (CID 156791450) is methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate.
What is the SMILES notation for methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate?
The canonical SMILES for methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate is COC(=O)CCS(=O)(=O)c1csc(F)c1.
What is the InChIKey of methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate?
The InChIKey is FEKGBNNTJAZOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4S2/c1-13-8(10)2-3-15(11,12)6-4-7(9)14-5-6/h4-5H,2-3H2,1H3.
What are the key properties of methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate?
methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate has a molecular weight of 252.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate is sourced from PubChem (CID 156791450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).