4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine

C9H14N2OS — CID 62468388

IUPAC4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
SMILESCOCCSCc1ccnc(N)c1
InChIInChI=1S/C9H14N2OS/c1-12-4-5-13-7-8-2-3-11-9(10)6-8/h2-3,6H,4-5,7H2,1H3,(H2,10,11)
InChIKeyYOWFWQNOLOOXJP-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.54
Rot. Bonds5

About 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine

4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine (PubChem CID 62468388) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
PubChem CID62468388
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
SMILESCOCCSCc1ccnc(N)c1
InChIInChI=1S/C9H14N2OS/c1-12-4-5-13-7-8-2-3-11-9(10)6-8/h2-3,6H,4-5,7H2,1H3,(H2,10,11)
InChIKeyYOWFWQNOLOOXJP-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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Related Compounds

S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine
CID 143465794
6-(2-methoxyethylsulfanylmethyl)quinoline
CID 136532204
1-(2-amino-4-pyridinyl)-5-methoxypentan-2-ol
CID 65091967
4-[(methoxyamino)methyl]pyridin-2-amine
CID 131155794
3-bromo-5-(2-methoxyethylsulfanylmethyl)aniline
CID 103351171
6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
CID 79239647
ethane;4-ethylpyridin-2-amine
CID 144736585
4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine
CID 114663333
4-[5-methoxy-2-(methylamino)pentyl]pyridin-2-amine
CID 65091866
[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine
CID 63881301
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 106925657
4-[(4-tert-butylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62468024

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine (CID 62468388) is 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine is COCCSCc1ccnc(N)c1.
What is the InChIKey of 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine?
The InChIKey is YOWFWQNOLOOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-4-5-13-7-8-2-3-11-9(10)6-8/h2-3,6H,4-5,7H2,1H3,(H2,10,11).
What are the key properties of 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine?
4-(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 4-(2-methoxyethylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 62468388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).