1-(2-methylsulfanylphenyl)piperazine;hydrochloride

C11H17ClN2S — CID 76852196

IUPAC1-(2-methylsulfanylphenyl)piperazine;hydrochloride
SMILESCSc1ccccc1N1CCNCC1.Cl
InChIInChI=1S/C11H16N2S.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKeyFKFRLKNQXZBMGQ-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.24
Rot. Bonds2

About 1-(2-methylsulfanylphenyl)piperazine;hydrochloride

1-(2-methylsulfanylphenyl)piperazine;hydrochloride (PubChem CID 76852196) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)piperazine;hydrochloride
PubChem CID76852196
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name1-(2-methylsulfanylphenyl)piperazine;hydrochloride
SMILESCSc1ccccc1N1CCNCC1.Cl
InChIInChI=1S/C11H16N2S.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKeyFKFRLKNQXZBMGQ-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Diethazine monohydrochloride
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CID 12707653

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(2-methylsulfanylphenyl)piperazine;hydrochloride (CID 76852196) is 1-(2-methylsulfanylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-methylsulfanylphenyl)piperazine;hydrochloride is CSc1ccccc1N1CCNCC1.Cl.
What is the InChIKey of 1-(2-methylsulfanylphenyl)piperazine;hydrochloride?
The InChIKey is FKFRLKNQXZBMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H.
What are the key properties of 1-(2-methylsulfanylphenyl)piperazine;hydrochloride?
1-(2-methylsulfanylphenyl)piperazine;hydrochloride has a molecular weight of 244.79 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 76852196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).