2-ethylsulfonylethyl 2-thiophen-2-ylacetate

C10H14O4S2 — CID 142757296

IUPAC2-ethylsulfonylethyl 2-thiophen-2-ylacetate
SMILESCCS(=O)(=O)CCOC(=O)Cc1cccs1
InChIInChI=1S/C10H14O4S2/c1-2-16(12,13)7-5-14-10(11)8-9-4-3-6-15-9/h3-4,6H,2,5,7-8H2,1H3
InChIKeyHGQUWCSDRBXMLI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.27
Rot. Bonds6

About 2-ethylsulfonylethyl 2-thiophen-2-ylacetate

2-ethylsulfonylethyl 2-thiophen-2-ylacetate (PubChem CID 142757296) has the molecular formula C10H14O4S2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-ethylsulfonylethyl 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name2-ethylsulfonylethyl 2-thiophen-2-ylacetate
PubChem CID142757296
Molecular FormulaC10H14O4S2
Molecular Weight262.35 g/mol
Exact Mass262.03
IUPAC Name2-ethylsulfonylethyl 2-thiophen-2-ylacetate
SMILESCCS(=O)(=O)CCOC(=O)Cc1cccs1
InChIInChI=1S/C10H14O4S2/c1-2-16(12,13)7-5-14-10(11)8-9-4-3-6-15-9/h3-4,6H,2,5,7-8H2,1H3
InChIKeyHGQUWCSDRBXMLI-UHFFFAOYSA-N
XLogP1.27
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylethyl 2-thiophen-2-ylacetate?
The IUPAC name of 2-ethylsulfonylethyl 2-thiophen-2-ylacetate (CID 142757296) is 2-ethylsulfonylethyl 2-thiophen-2-ylacetate.
What is the SMILES notation for 2-ethylsulfonylethyl 2-thiophen-2-ylacetate?
The canonical SMILES for 2-ethylsulfonylethyl 2-thiophen-2-ylacetate is CCS(=O)(=O)CCOC(=O)Cc1cccs1.
What is the InChIKey of 2-ethylsulfonylethyl 2-thiophen-2-ylacetate?
The InChIKey is HGQUWCSDRBXMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S2/c1-2-16(12,13)7-5-14-10(11)8-9-4-3-6-15-9/h3-4,6H,2,5,7-8H2,1H3.
What are the key properties of 2-ethylsulfonylethyl 2-thiophen-2-ylacetate?
2-ethylsulfonylethyl 2-thiophen-2-ylacetate has a molecular weight of 262.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylethyl 2-thiophen-2-ylacetate is sourced from PubChem (CID 142757296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).