methyl 2-thiophen-3-yl-1H-indole-3-carboxylate

C14H11NO2S — CID 57412548

IUPACmethyl 2-thiophen-3-yl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccsc2)[nH]c2ccccc12
InChIInChI=1S/C14H11NO2S/c1-17-14(16)12-10-4-2-3-5-11(10)15-13(12)9-6-7-18-8-9/h2-8,15H,1H3
InChIKeyUYIWHUDVRZLMLW-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.68
Rot. Bonds2

About methyl 2-thiophen-3-yl-1H-indole-3-carboxylate

methyl 2-thiophen-3-yl-1H-indole-3-carboxylate (PubChem CID 57412548) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 2-thiophen-3-yl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-thiophen-3-yl-1H-indole-3-carboxylate
PubChem CID57412548
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Namemethyl 2-thiophen-3-yl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccsc2)[nH]c2ccccc12
InChIInChI=1S/C14H11NO2S/c1-17-14(16)12-10-4-2-3-5-11(10)15-13(12)9-6-7-18-8-9/h2-8,15H,1H3
InChIKeyUYIWHUDVRZLMLW-UHFFFAOYSA-N
XLogP3.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-thiophen-3-yl-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-thiophen-3-yl-1H-indole-3-carboxylate (CID 57412548) is methyl 2-thiophen-3-yl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-thiophen-3-yl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-thiophen-3-yl-1H-indole-3-carboxylate is COC(=O)c1c(-c2ccsc2)[nH]c2ccccc12.
What is the InChIKey of methyl 2-thiophen-3-yl-1H-indole-3-carboxylate?
The InChIKey is UYIWHUDVRZLMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-14(16)12-10-4-2-3-5-11(10)15-13(12)9-6-7-18-8-9/h2-8,15H,1H3.
What are the key properties of methyl 2-thiophen-3-yl-1H-indole-3-carboxylate?
methyl 2-thiophen-3-yl-1H-indole-3-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thiophen-3-yl-1H-indole-3-carboxylate is sourced from PubChem (CID 57412548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).