3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole

C15H15NS — CID 131886182

IUPAC3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole
SMILESCCc1c(-c2sccc2C)[nH]c2ccccc12
InChIInChI=1S/C15H15NS/c1-3-11-12-6-4-5-7-13(12)16-14(11)15-10(2)8-9-17-15/h4-9,16H,3H2,1-2H3
InChIKeyUBQKHTOOYYFGTL-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.77
Rot. Bonds2

About 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole

3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole (PubChem CID 131886182) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole.

Molecular Properties

Compound Name3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole
PubChem CID131886182
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole
SMILESCCc1c(-c2sccc2C)[nH]c2ccccc12
InChIInChI=1S/C15H15NS/c1-3-11-12-6-4-5-7-13(12)16-14(11)15-10(2)8-9-17-15/h4-9,16H,3H2,1-2H3
InChIKeyUBQKHTOOYYFGTL-UHFFFAOYSA-N
XLogP4.77
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
CID 172702505
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
2,3-diethyl-1H-indole;hydrate
CID 70606554
3-ethyl-2-propyl-1H-indole
CID 65335384
4-[2-(3-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4299973
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
2-benzyl-3-ethyl-1H-indole
CID 13115106
bis(9H-carbazole);propane
CID 90987002
3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
4-[5,7-dimethyl-2-(3-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5140207
2-(dimethoxymethyl)-3-ethyl-1H-indole
CID 134907125

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole?
The IUPAC name of 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole (CID 131886182) is 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole.
What is the SMILES notation for 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole?
The canonical SMILES for 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole is CCc1c(-c2sccc2C)[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole?
The InChIKey is UBQKHTOOYYFGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-3-11-12-6-4-5-7-13(12)16-14(11)15-10(2)8-9-17-15/h4-9,16H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole?
3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole has a molecular weight of 241.36 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole is sourced from PubChem (CID 131886182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).