5-(ethoxymethylsulfanyl)pyridin-2-amine

C8H12N2OS — CID 65369754

IUPAC5-(ethoxymethylsulfanyl)pyridin-2-amine
SMILESCCOCSc1ccc(N)nc1
InChIInChI=1S/C8H12N2OS/c1-2-11-6-12-7-3-4-8(9)10-5-7/h3-5H,2,6H2,1H3,(H2,9,10)
InChIKeyUBVPIXLPOAZGOF-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.75
Rot. Bonds4

About 5-(ethoxymethylsulfanyl)pyridin-2-amine

5-(ethoxymethylsulfanyl)pyridin-2-amine (PubChem CID 65369754) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-(ethoxymethylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(ethoxymethylsulfanyl)pyridin-2-amine
PubChem CID65369754
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-(ethoxymethylsulfanyl)pyridin-2-amine
SMILESCCOCSc1ccc(N)nc1
InChIInChI=1S/C8H12N2OS/c1-2-11-6-12-7-3-4-8(9)10-5-7/h3-5H,2,6H2,1H3,(H2,9,10)
InChIKeyUBVPIXLPOAZGOF-UHFFFAOYSA-N
XLogP1.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethylsulfanyl)pyridin-2-amine?
The IUPAC name of 5-(ethoxymethylsulfanyl)pyridin-2-amine (CID 65369754) is 5-(ethoxymethylsulfanyl)pyridin-2-amine.
What is the SMILES notation for 5-(ethoxymethylsulfanyl)pyridin-2-amine?
The canonical SMILES for 5-(ethoxymethylsulfanyl)pyridin-2-amine is CCOCSc1ccc(N)nc1.
What is the InChIKey of 5-(ethoxymethylsulfanyl)pyridin-2-amine?
The InChIKey is UBVPIXLPOAZGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-11-6-12-7-3-4-8(9)10-5-7/h3-5H,2,6H2,1H3,(H2,9,10).
What are the key properties of 5-(ethoxymethylsulfanyl)pyridin-2-amine?
5-(ethoxymethylsulfanyl)pyridin-2-amine has a molecular weight of 184.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 65369754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).