tert-butyl 2-thiophen-3-ylsulfonylacetate

C10H14O4S2 — CID 134968742

IUPACtert-butyl 2-thiophen-3-ylsulfonylacetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)c1ccsc1
InChIInChI=1S/C10H14O4S2/c1-10(2,3)14-9(11)7-16(12,13)8-4-5-15-6-8/h4-6H,7H2,1-3H3
InChIKeyLIVAODMEWJPONM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.86
Rot. Bonds3

About tert-butyl 2-thiophen-3-ylsulfonylacetate

tert-butyl 2-thiophen-3-ylsulfonylacetate (PubChem CID 134968742) has the molecular formula C10H14O4S2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 2-thiophen-3-ylsulfonylacetate.

Molecular Properties

Compound Nametert-butyl 2-thiophen-3-ylsulfonylacetate
PubChem CID134968742
Molecular FormulaC10H14O4S2
Molecular Weight262.35 g/mol
Exact Mass262.03
IUPAC Nametert-butyl 2-thiophen-3-ylsulfonylacetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)c1ccsc1
InChIInChI=1S/C10H14O4S2/c1-10(2,3)14-9(11)7-16(12,13)8-4-5-15-6-8/h4-6H,7H2,1-3H3
InChIKeyLIVAODMEWJPONM-UHFFFAOYSA-N
XLogP1.86
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-thiophen-3-ylsulfonylacetate?
The IUPAC name of tert-butyl 2-thiophen-3-ylsulfonylacetate (CID 134968742) is tert-butyl 2-thiophen-3-ylsulfonylacetate.
What is the SMILES notation for tert-butyl 2-thiophen-3-ylsulfonylacetate?
The canonical SMILES for tert-butyl 2-thiophen-3-ylsulfonylacetate is CC(C)(C)OC(=O)CS(=O)(=O)c1ccsc1.
What is the InChIKey of tert-butyl 2-thiophen-3-ylsulfonylacetate?
The InChIKey is LIVAODMEWJPONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S2/c1-10(2,3)14-9(11)7-16(12,13)8-4-5-15-6-8/h4-6H,7H2,1-3H3.
What are the key properties of tert-butyl 2-thiophen-3-ylsulfonylacetate?
tert-butyl 2-thiophen-3-ylsulfonylacetate has a molecular weight of 262.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-thiophen-3-ylsulfonylacetate is sourced from PubChem (CID 134968742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).