4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol

C11H18N2OS — CID 3085156

IUPAC4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol
SMILESCCNCc1c(CSC)cnc(C)c1O
InChIInChI=1S/C11H18N2OS/c1-4-12-6-10-9(7-15-3)5-13-8(2)11(10)14/h5,12,14H,4,6-7H2,1-3H3
InChIKeyVGWRNXUFWFDSCH-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.07
Rot. Bonds5

About 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol

4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol (PubChem CID 3085156) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol
PubChem CID3085156
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol
SMILESCCNCc1c(CSC)cnc(C)c1O
InChIInChI=1S/C11H18N2OS/c1-4-12-6-10-9(7-15-3)5-13-8(2)11(10)14/h5,12,14H,4,6-7H2,1-3H3
InChIKeyVGWRNXUFWFDSCH-UHFFFAOYSA-N
XLogP2.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridoxamine
CID 1052
Pyritinol
CID 14190
Pyridoxamine, dihydrochloride
CID 10664
CID 11205997
CID 11205997
Pyridoxaminium(1+)
CID 25245492
5-(Hydroxymethyl)-2-methyl-4-(sulfanylmethyl)pyridin-3-ol hydrochloride
CID 200230
Pyridoxamine hydrochloride
CID 216452
Pyridoxamin-5-thioacetate hydrobromide
CID 28546
Pyridoxine 5-thioacetate
CID 30855
5-Hydroxy-4-(mercaptomethyl)-6-methyl-3-pyridinemethanol
CID 83834
4',5'-Dithiopyridoxine
CID 96027
5-Mercaptopyridoxine hydrochloride
CID 200184

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol?
The IUPAC name of 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol (CID 3085156) is 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol.
What is the SMILES notation for 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol?
The canonical SMILES for 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol is CCNCc1c(CSC)cnc(C)c1O.
What is the InChIKey of 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol?
The InChIKey is VGWRNXUFWFDSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-12-6-10-9(7-15-3)5-13-8(2)11(10)14/h5,12,14H,4,6-7H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol?
4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol has a molecular weight of 226.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol is sourced from PubChem (CID 3085156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).