1-(thiophen-2-ylmethyl)indole

C13H11NS — CID 63811111

IUPAC1-(thiophen-2-ylmethyl)indole
SMILESc1csc(Cn2ccc3ccccc32)c1
InChIInChI=1S/C13H11NS/c1-2-6-13-11(4-1)7-8-14(13)10-12-5-3-9-15-12/h1-9H,10H2
InChIKeyHXYLGQFQNCZBRL-UHFFFAOYSA-N
MW213.31 g/mol
LogP3.75
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)indole

1-(thiophen-2-ylmethyl)indole (PubChem CID 63811111) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)indole.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)indole
PubChem CID63811111
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name1-(thiophen-2-ylmethyl)indole
SMILESc1csc(Cn2ccc3ccccc32)c1
InChIInChI=1S/C13H11NS/c1-2-6-13-11(4-1)7-8-14(13)10-12-5-3-9-15-12/h1-9H,10H2
InChIKeyHXYLGQFQNCZBRL-UHFFFAOYSA-N
XLogP3.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)indole?
The IUPAC name of 1-(thiophen-2-ylmethyl)indole (CID 63811111) is 1-(thiophen-2-ylmethyl)indole.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)indole?
The canonical SMILES for 1-(thiophen-2-ylmethyl)indole is c1csc(Cn2ccc3ccccc32)c1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)indole?
The InChIKey is HXYLGQFQNCZBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-2-6-13-11(4-1)7-8-14(13)10-12-5-3-9-15-12/h1-9H,10H2.
What are the key properties of 1-(thiophen-2-ylmethyl)indole?
1-(thiophen-2-ylmethyl)indole has a molecular weight of 213.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)indole is sourced from PubChem (CID 63811111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).