6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole

C16H17NS — CID 70851531

IUPAC6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole
SMILESCc1ccc2cc(-c3ccc(C(C)C)s3)[nH]c2c1
InChIInChI=1S/C16H17NS/c1-10(2)15-6-7-16(18-15)14-9-12-5-4-11(3)8-13(12)17-14/h4-10,17H,1-3H3
InChIKeyTUMBGYHQRHOSCI-UHFFFAOYSA-N
MW255.39 g/mol
LogP5.33
Rot. Bonds2

About 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole

6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole (PubChem CID 70851531) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole.

Molecular Properties

Compound Name6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole
PubChem CID70851531
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole
SMILESCc1ccc2cc(-c3ccc(C(C)C)s3)[nH]c2c1
InChIInChI=1S/C16H17NS/c1-10(2)15-6-7-16(18-15)14-9-12-5-4-11(3)8-13(12)17-14/h4-10,17H,1-3H3
InChIKeyTUMBGYHQRHOSCI-UHFFFAOYSA-N
XLogP5.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole?
The IUPAC name of 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole (CID 70851531) is 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole.
What is the SMILES notation for 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole?
The canonical SMILES for 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole is Cc1ccc2cc(-c3ccc(C(C)C)s3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole?
The InChIKey is TUMBGYHQRHOSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-10(2)15-6-7-16(18-15)14-9-12-5-4-11(3)8-13(12)17-14/h4-10,17H,1-3H3.
What are the key properties of 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole?
6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole has a molecular weight of 255.39 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole is sourced from PubChem (CID 70851531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).