2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride

C11H18ClN3OS — CID 71643460

IUPAC2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride
SMILESCSc1nccnc1COC1CCCNC1.Cl
InChIInChI=1S/C11H17N3OS.ClH/c1-16-11-10(13-5-6-14-11)8-15-9-3-2-4-12-7-9;/h5-6,9,12H,2-4,7-8H2,1H3;1H
InChIKeyOSZIZAOOOQXQQX-UHFFFAOYSA-N
MW275.80 g/mol
LogP1.89
Rot. Bonds4

About 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride

2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride (PubChem CID 71643460) has the molecular formula C11H18ClN3OS and a molecular weight of 275.80 g/mol. Its IUPAC name is 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride
PubChem CID71643460
Molecular FormulaC11H18ClN3OS
Molecular Weight275.80 g/mol
Exact Mass275.09
IUPAC Name2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride
SMILESCSc1nccnc1COC1CCCNC1.Cl
InChIInChI=1S/C11H17N3OS.ClH/c1-16-11-10(13-5-6-14-11)8-15-9-3-2-4-12-7-9;/h5-6,9,12H,2-4,7-8H2,1H3;1H
InChIKeyOSZIZAOOOQXQQX-UHFFFAOYSA-N
XLogP1.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride?
The IUPAC name of 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride (CID 71643460) is 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride.
What is the SMILES notation for 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride?
The canonical SMILES for 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride is CSc1nccnc1COC1CCCNC1.Cl.
What is the InChIKey of 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride?
The InChIKey is OSZIZAOOOQXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.ClH/c1-16-11-10(13-5-6-14-11)8-15-9-3-2-4-12-7-9;/h5-6,9,12H,2-4,7-8H2,1H3;1H.
What are the key properties of 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride?
2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride has a molecular weight of 275.80 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-(piperidin-3-yloxymethyl)pyrazine;hydrochloride is sourced from PubChem (CID 71643460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).