ethyl 2-thiophen-2-ylsulfonylpropanoate

C9H12O4S2 — CID 54394937

IUPACethyl 2-thiophen-2-ylsulfonylpropanoate
SMILESCCOC(=O)C(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H12O4S2/c1-3-13-9(10)7(2)15(11,12)8-5-4-6-14-8/h4-7H,3H2,1-2H3
InChIKeyVJGPENBRHUYYBS-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.47
Rot. Bonds4

About ethyl 2-thiophen-2-ylsulfonylpropanoate

ethyl 2-thiophen-2-ylsulfonylpropanoate (PubChem CID 54394937) has the molecular formula C9H12O4S2 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-thiophen-2-ylsulfonylpropanoate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-ylsulfonylpropanoate
PubChem CID54394937
Molecular FormulaC9H12O4S2
Molecular Weight248.32 g/mol
Exact Mass248.02
IUPAC Nameethyl 2-thiophen-2-ylsulfonylpropanoate
SMILESCCOC(=O)C(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H12O4S2/c1-3-13-9(10)7(2)15(11,12)8-5-4-6-14-8/h4-7H,3H2,1-2H3
InChIKeyVJGPENBRHUYYBS-UHFFFAOYSA-N
XLogP1.47
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Acetyloxypropanesulfonyl)thiophene-2-sulfonamide
CID 15599385
5-(3-Methoxyacetyloxypropanesulfonyl)thiophene-2-sulfonamide
CID 15599386
2-(5-Sulfamoylthiophene-2-sulfonyl)ethyl acetate
CID 23274983
O-ethyl 2-thiophen-2-ylsulfonylethanethioate
CID 56668815
Ethyl 2-(thiophen-2-ylthio)acetate
CID 15415459
Ethyl (3-thienylmercapto)acetate
CID 13099962
Methyl 2-(2-thienylthio)acetate
CID 12201118
2-(2-Propan-2-yloxyethylsulfonyl)thiophene
CID 71981813
Methyl 3-(4-fluorothiophen-2-yl)sulfonylpropanoate
CID 156531248
Methyl 3-(5-fluorothiophen-3-yl)sulfonylpropanoate
CID 156791450
Methyl 3-thiophen-2-ylsulfonylpropanoate
CID 4351981
3-Thiophen-2-ylsulfonylpropanoic acid
CID 24263759

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-2-ylsulfonylpropanoate?
The IUPAC name of ethyl 2-thiophen-2-ylsulfonylpropanoate (CID 54394937) is ethyl 2-thiophen-2-ylsulfonylpropanoate.
What is the SMILES notation for ethyl 2-thiophen-2-ylsulfonylpropanoate?
The canonical SMILES for ethyl 2-thiophen-2-ylsulfonylpropanoate is CCOC(=O)C(C)S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-thiophen-2-ylsulfonylpropanoate?
The InChIKey is VJGPENBRHUYYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4S2/c1-3-13-9(10)7(2)15(11,12)8-5-4-6-14-8/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-thiophen-2-ylsulfonylpropanoate?
ethyl 2-thiophen-2-ylsulfonylpropanoate has a molecular weight of 248.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-2-ylsulfonylpropanoate is sourced from PubChem (CID 54394937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).