1-methyl-3-pyridin-2-ylsulfanylindole

C14H12N2S — CID 11687348

IUPAC1-methyl-3-pyridin-2-ylsulfanylindole
SMILESCn1cc(Sc2ccccn2)c2ccccc21
InChIInChI=1S/C14H12N2S/c1-16-10-13(11-6-2-3-7-12(11)16)17-14-8-4-5-9-15-14/h2-10H,1H3
InChIKeyRLLFBBCTXBCRES-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.72
Rot. Bonds2

About 1-methyl-3-pyridin-2-ylsulfanylindole

1-methyl-3-pyridin-2-ylsulfanylindole (PubChem CID 11687348) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-methyl-3-pyridin-2-ylsulfanylindole.

Molecular Properties

Compound Name1-methyl-3-pyridin-2-ylsulfanylindole
PubChem CID11687348
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-methyl-3-pyridin-2-ylsulfanylindole
SMILESCn1cc(Sc2ccccn2)c2ccccc21
InChIInChI=1S/C14H12N2S/c1-16-10-13(11-6-2-3-7-12(11)16)17-14-8-4-5-9-15-14/h2-10H,1H3
InChIKeyRLLFBBCTXBCRES-UHFFFAOYSA-N
XLogP3.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1-bromoethyl)-1-methylindole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-2-ylsulfanylindole?
The IUPAC name of 1-methyl-3-pyridin-2-ylsulfanylindole (CID 11687348) is 1-methyl-3-pyridin-2-ylsulfanylindole.
What is the SMILES notation for 1-methyl-3-pyridin-2-ylsulfanylindole?
The canonical SMILES for 1-methyl-3-pyridin-2-ylsulfanylindole is Cn1cc(Sc2ccccn2)c2ccccc21.
What is the InChIKey of 1-methyl-3-pyridin-2-ylsulfanylindole?
The InChIKey is RLLFBBCTXBCRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-16-10-13(11-6-2-3-7-12(11)16)17-14-8-4-5-9-15-14/h2-10H,1H3.
What are the key properties of 1-methyl-3-pyridin-2-ylsulfanylindole?
1-methyl-3-pyridin-2-ylsulfanylindole has a molecular weight of 240.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-2-ylsulfanylindole is sourced from PubChem (CID 11687348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).