2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C15H18N2S — CID 73350387

IUPAC2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCSc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1
InChIInChI=1S/C15H18N2S/c1-10-15(11-5-7-16-8-6-11)13-9-12(18-2)3-4-14(13)17-10/h3-5,9,16-17H,6-8H2,1-2H3
InChIKeyPYXFRMLACHDGND-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.57
Rot. Bonds2

About 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 73350387) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID73350387
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCSc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1
InChIInChI=1S/C15H18N2S/c1-10-15(11-5-7-16-8-6-11)13-9-12(18-2)3-4-14(13)17-10/h3-5,9,16-17H,6-8H2,1-2H3
InChIKeyPYXFRMLACHDGND-UHFFFAOYSA-N
XLogP3.57
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 73350387) is 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is CSc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is PYXFRMLACHDGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-15(11-5-7-16-8-6-11)13-9-12(18-2)3-4-14(13)17-10/h3-5,9,16-17H,6-8H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 258.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 73350387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).