[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine

C15H15N3S — CID 114769908

IUPAC[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C15H15N3S/c1-10-6-11(9-16)7-14(17-10)19-15-8-12-4-2-3-5-13(12)18-15/h2-8,18H,9,16H2,1H3
InChIKeyWFOBZAVTPLIMRE-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.48
Rot. Bonds3

About [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine

[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine (PubChem CID 114769908) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
PubChem CID114769908
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C15H15N3S/c1-10-6-11(9-16)7-14(17-10)19-15-8-12-4-2-3-5-13(12)18-15/h2-8,18H,9,16H2,1H3
InChIKeyWFOBZAVTPLIMRE-UHFFFAOYSA-N
XLogP3.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
CID 80926830
(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine
CID 114769845
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769891
4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80891404
(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine
CID 114769896
[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769868
[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769905
[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80927316
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866
6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775261
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
CID 80651696

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine?
The IUPAC name of [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine (CID 114769908) is [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine is Cc1cc(CN)cc(Sc2cc3ccccc3[nH]2)n1.
What is the InChIKey of [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine?
The InChIKey is WFOBZAVTPLIMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-6-11(9-16)7-14(17-10)19-15-8-12-4-2-3-5-13(12)18-15/h2-8,18H,9,16H2,1H3.
What are the key properties of [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine?
[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine is sourced from PubChem (CID 114769908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).