ethyl 2-(furan-2-ylmethylsulfonyl)acetate

C9H12O5S — CID 15626811

IUPACethyl 2-(furan-2-ylmethylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)Cc1ccco1
InChIInChI=1S/C9H12O5S/c1-2-13-9(10)7-15(11,12)6-8-4-3-5-14-8/h3-5H,2,6-7H2,1H3
InChIKeyPSTNEEHGFMFVRN-UHFFFAOYSA-N
MW232.26 g/mol
LogP0.76
Rot. Bonds5

About ethyl 2-(furan-2-ylmethylsulfonyl)acetate

ethyl 2-(furan-2-ylmethylsulfonyl)acetate (PubChem CID 15626811) has the molecular formula C9H12O5S and a molecular weight of 232.26 g/mol. Its IUPAC name is ethyl 2-(furan-2-ylmethylsulfonyl)acetate.

Molecular Properties

Compound Nameethyl 2-(furan-2-ylmethylsulfonyl)acetate
PubChem CID15626811
Molecular FormulaC9H12O5S
Molecular Weight232.26 g/mol
Exact Mass232.04
IUPAC Nameethyl 2-(furan-2-ylmethylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)Cc1ccco1
InChIInChI=1S/C9H12O5S/c1-2-13-9(10)7-15(11,12)6-8-4-3-5-14-8/h3-5H,2,6-7H2,1H3
InChIKeyPSTNEEHGFMFVRN-UHFFFAOYSA-N
XLogP0.76
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
ethyl 2-[[2-(furan-2-yl)acetyl]amino]acetate
CID 110484571
ethyl 2-[2-(2-aminophenoxy)ethylsulfonyl]acetate
CID 43618414
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
ethyl 5-(furan-2-ylmethylsulfanyl)-4-oxopentanoate
CID 103485680
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
CID 62011616
diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
CID 103972824
ethyl 2-(furan-2-ylmethoxy)pentanoate
CID 83038819
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
diethyl 2-(furan-2-ylmethyl)-2-(2-methylpropyl)propanedioate
CID 103972769
ethyl 3-[(4-chloro-2,5-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate
CID 3381227

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-ylmethylsulfonyl)acetate?
The IUPAC name of ethyl 2-(furan-2-ylmethylsulfonyl)acetate (CID 15626811) is ethyl 2-(furan-2-ylmethylsulfonyl)acetate.
What is the SMILES notation for ethyl 2-(furan-2-ylmethylsulfonyl)acetate?
The canonical SMILES for ethyl 2-(furan-2-ylmethylsulfonyl)acetate is CCOC(=O)CS(=O)(=O)Cc1ccco1.
What is the InChIKey of ethyl 2-(furan-2-ylmethylsulfonyl)acetate?
The InChIKey is PSTNEEHGFMFVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5S/c1-2-13-9(10)7-15(11,12)6-8-4-3-5-14-8/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(furan-2-ylmethylsulfonyl)acetate?
ethyl 2-(furan-2-ylmethylsulfonyl)acetate has a molecular weight of 232.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-ylmethylsulfonyl)acetate is sourced from PubChem (CID 15626811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).