6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole

C13H17NS — CID 130218841

IUPAC6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole
SMILESCSC(C)(C)c1c(C)ccc2cc[nH]c12
InChIInChI=1S/C13H17NS/c1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)15-4/h5-8,14H,1-4H3
InChIKeyIXAYVOFEDXETHA-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.07
Rot. Bonds2

About 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole

6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole (PubChem CID 130218841) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole.

Molecular Properties

Compound Name6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole
PubChem CID130218841
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole
SMILESCSC(C)(C)c1c(C)ccc2cc[nH]c12
InChIInChI=1S/C13H17NS/c1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)15-4/h5-8,14H,1-4H3
InChIKeyIXAYVOFEDXETHA-UHFFFAOYSA-N
XLogP4.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole?
The IUPAC name of 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole (CID 130218841) is 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole.
What is the SMILES notation for 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole?
The canonical SMILES for 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole is CSC(C)(C)c1c(C)ccc2cc[nH]c12.
What is the InChIKey of 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole?
The InChIKey is IXAYVOFEDXETHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)15-4/h5-8,14H,1-4H3.
What are the key properties of 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole?
6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole has a molecular weight of 219.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole is sourced from PubChem (CID 130218841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).