5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine

C9H14N2OS — CID 106504113

IUPAC5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCOc1ccc(NCCSC)nc1
InChIInChI=1S/C9H14N2OS/c1-12-8-3-4-9(11-7-8)10-5-6-13-2/h3-4,7H,5-6H2,1-2H3,(H,10,11)
InChIKeyYGJLGQQAKLXMNE-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.87
Rot. Bonds5

About 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine

5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 106504113) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID106504113
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCOc1ccc(NCCSC)nc1
InChIInChI=1S/C9H14N2OS/c1-12-8-3-4-9(11-7-8)10-5-6-13-2/h3-4,7H,5-6H2,1-2H3,(H,10,11)
InChIKeyYGJLGQQAKLXMNE-UHFFFAOYSA-N
XLogP1.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-propylpyridin-2-amine
CID 106503925
N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
N-(3-chlorobutyl)-5-methoxypyridin-2-amine
CID 106505086
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
5-methoxy-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 106504121
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
5-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
CID 106504298
N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine
CID 106504375
5-methoxy-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 107143616
5-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106403802

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 106504113) is 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine is COc1ccc(NCCSC)nc1.
What is the InChIKey of 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is YGJLGQQAKLXMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-8-3-4-9(11-7-8)10-5-6-13-2/h3-4,7H,5-6H2,1-2H3,(H,10,11).
What are the key properties of 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine?
5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 106504113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).