ethyl 2-(1-ethylindol-3-yl)sulfanylacetate

C14H17NO2S — CID 43949356

IUPACethyl 2-(1-ethylindol-3-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cn(CC)c2ccccc12
InChIInChI=1S/C14H17NO2S/c1-3-15-9-13(18-10-14(16)17-4-2)11-7-5-6-8-12(11)15/h5-9H,3-4,10H2,1-2H3
InChIKeyXKCNONLJYKSQEB-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.32
Rot. Bonds5

About ethyl 2-(1-ethylindol-3-yl)sulfanylacetate

ethyl 2-(1-ethylindol-3-yl)sulfanylacetate (PubChem CID 43949356) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is ethyl 2-(1-ethylindol-3-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(1-ethylindol-3-yl)sulfanylacetate
PubChem CID43949356
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Nameethyl 2-(1-ethylindol-3-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cn(CC)c2ccccc12
InChIInChI=1S/C14H17NO2S/c1-3-15-9-13(18-10-14(16)17-4-2)11-7-5-6-8-12(11)15/h5-9H,3-4,10H2,1-2H3
InChIKeyXKCNONLJYKSQEB-UHFFFAOYSA-N
XLogP3.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethylindol-3-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(1-ethylindol-3-yl)sulfanylacetate (CID 43949356) is ethyl 2-(1-ethylindol-3-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(1-ethylindol-3-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(1-ethylindol-3-yl)sulfanylacetate is CCOC(=O)CSc1cn(CC)c2ccccc12.
What is the InChIKey of ethyl 2-(1-ethylindol-3-yl)sulfanylacetate?
The InChIKey is XKCNONLJYKSQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-3-15-9-13(18-10-14(16)17-4-2)11-7-5-6-8-12(11)15/h5-9H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-(1-ethylindol-3-yl)sulfanylacetate?
ethyl 2-(1-ethylindol-3-yl)sulfanylacetate has a molecular weight of 263.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethylindol-3-yl)sulfanylacetate is sourced from PubChem (CID 43949356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).