6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine

C9H14N2OS — CID 79239647

IUPAC6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
SMILESCOCCSCc1cccc(N)n1
InChIInChI=1S/C9H14N2OS/c1-12-5-6-13-7-8-3-2-4-9(10)11-8/h2-4H,5-7H2,1H3,(H2,10,11)
InChIKeyVMCSUNVVVDKMRM-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.54
Rot. Bonds5

About 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine

6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine (PubChem CID 79239647) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
PubChem CID79239647
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
SMILESCOCCSCc1cccc(N)n1
InChIInChI=1S/C9H14N2OS/c1-12-5-6-13-7-8-3-2-4-9(10)11-8/h2-4H,5-7H2,1H3,(H2,10,11)
InChIKeyVMCSUNVVVDKMRM-UHFFFAOYSA-N
XLogP1.54
TPSA48.14 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 ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine (CID 79239647) is 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine is COCCSCc1cccc(N)n1.
What is the InChIKey of 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine?
The InChIKey is VMCSUNVVVDKMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-5-6-13-7-8-3-2-4-9(10)11-8/h2-4H,5-7H2,1H3,(H2,10,11).
What are the key properties of 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine?
6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 79239647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).