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

C9H14N2OS — CID 63965022

IUPAC6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCOc1cccc(NCCSC)n1
InChIInChI=1S/C9H14N2OS/c1-12-9-5-3-4-8(11-9)10-6-7-13-2/h3-5H,6-7H2,1-2H3,(H,10,11)
InChIKeyFIKKOMVEXDOVQL-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.87
Rot. Bonds5

About 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine

6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 63965022) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID63965022
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCOc1cccc(NCCSC)n1
InChIInChI=1S/C9H14N2OS/c1-12-9-5-3-4-8(11-9)10-6-7-13-2/h3-5H,6-7H2,1-2H3,(H,10,11)
InChIKeyFIKKOMVEXDOVQL-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

6-methoxy-N-(3-methylsulfanylpropyl)pyridin-2-amine
CID 63965720
2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
CID 80839882
6-methoxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762395
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
N-(6-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 63590212
6-methoxy-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 63589886
6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine
CID 63591649
6-methoxy-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 79756545
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 55259536
3-[(6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 63590933
2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307016
6-methoxy-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63591274

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 63965022) is 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine is COc1cccc(NCCSC)n1.
What is the InChIKey of 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is FIKKOMVEXDOVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-9-5-3-4-8(11-9)10-6-7-13-2/h3-5H,6-7H2,1-2H3,(H,10,11).
What are the key properties of 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine?
6-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 6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 63965022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).