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

C11H20Cl2N2OS — CID 6453819

IUPAC4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride
SMILESCCNCc1c(CSC)cnc(C)c1O.Cl.Cl
InChIInChI=1S/C11H18N2OS.2ClH/c1-4-12-6-10-9(7-15-3)5-13-8(2)11(10)14;;/h5,12,14H,4,6-7H2,1-3H3;2*1H
InChIKeyTYNOKGPWHONZDV-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.91
Rot. Bonds5

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

4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride (PubChem CID 6453819) has the molecular formula C11H20Cl2N2OS and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride
PubChem CID6453819
Molecular FormulaC11H20Cl2N2OS
Molecular Weight299.27 g/mol
Exact Mass298.07
IUPAC Name4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride
SMILESCCNCc1c(CSC)cnc(C)c1O.Cl.Cl
InChIInChI=1S/C11H18N2OS.2ClH/c1-4-12-6-10-9(7-15-3)5-13-8(2)11(10)14;;/h5,12,14H,4,6-7H2,1-3H3;2*1H
InChIKeyTYNOKGPWHONZDV-UHFFFAOYSA-N
XLogP2.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride?
The IUPAC name of 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride (CID 6453819) is 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride.
What is the SMILES notation for 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride?
The canonical SMILES for 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride is CCNCc1c(CSC)cnc(C)c1O.Cl.Cl.
What is the InChIKey of 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride?
The InChIKey is TYNOKGPWHONZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS.2ClH/c1-4-12-6-10-9(7-15-3)5-13-8(2)11(10)14;;/h5,12,14H,4,6-7H2,1-3H3;2*1H.
What are the key properties of 4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride?
4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol;dihydrochloride has a molecular weight of 299.27 g/mol, XLogP of 2.91, 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;dihydrochloride is sourced from PubChem (CID 6453819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).