1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine

C15H15N3S — CID 80651602

IUPAC1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2cc3ccccc3[nH]2)nc1
InChIInChI=1S/C15H15N3S/c1-16-9-11-6-7-14(17-10-11)19-15-8-12-4-2-3-5-13(12)18-15/h2-8,10,16,18H,9H2,1H3
InChIKeyLSPBFQOEEWEVQC-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.43
Rot. Bonds4

About 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine

1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 80651602) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
PubChem CID80651602
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2cc3ccccc3[nH]2)nc1
InChIInChI=1S/C15H15N3S/c1-16-9-11-6-7-14(17-10-11)19-15-8-12-4-2-3-5-13(12)18-15/h2-8,10,16,18H,9H2,1H3
InChIKeyLSPBFQOEEWEVQC-UHFFFAOYSA-N
XLogP3.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine (CID 80651602) is 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(Sc2cc3ccccc3[nH]2)nc1.
What is the InChIKey of 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is LSPBFQOEEWEVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-16-9-11-6-7-14(17-10-11)19-15-8-12-4-2-3-5-13(12)18-15/h2-8,10,16,18H,9H2,1H3.
What are the key properties of 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine?
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80651602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).