1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine

C15H18N2OS — CID 80651000

IUPAC1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Sc2ccccc2OC)c(C)c1
InChIInChI=1S/C15H18N2OS/c1-11-8-12(9-16-2)10-17-15(11)19-14-7-5-4-6-13(14)18-3/h4-8,10,16H,9H2,1-3H3
InChIKeyDGINURFIULNIKF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.27
Rot. Bonds5

About 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80651000) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80651000
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Sc2ccccc2OC)c(C)c1
InChIInChI=1S/C15H18N2OS/c1-11-8-12(9-16-2)10-17-15(11)19-14-7-5-4-6-13(14)18-3/h4-8,10,16H,9H2,1-3H3
InChIKeyDGINURFIULNIKF-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80651000) is 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(Sc2ccccc2OC)c(C)c1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is DGINURFIULNIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-8-12(9-16-2)10-17-15(11)19-14-7-5-4-6-13(14)18-3/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 274.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80651000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).