1-(2-methylsulfanylphenyl)piperazine

C11H16N2S — CID 2736895

IUPAC1-(2-methylsulfanylphenyl)piperazine
SMILESCSc1ccccc1N1CCNCC1
InChIInChI=1S/C11H16N2S/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKeyRXJURXTXLCOIDY-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.82
Rot. Bonds2

About 1-(2-methylsulfanylphenyl)piperazine

1-(2-methylsulfanylphenyl)piperazine (PubChem CID 2736895) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)piperazine
PubChem CID2736895
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1-(2-methylsulfanylphenyl)piperazine
SMILESCSc1ccccc1N1CCNCC1
InChIInChI=1S/C11H16N2S/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKeyRXJURXTXLCOIDY-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)piperazine?
The IUPAC name of 1-(2-methylsulfanylphenyl)piperazine (CID 2736895) is 1-(2-methylsulfanylphenyl)piperazine.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)piperazine?
The canonical SMILES for 1-(2-methylsulfanylphenyl)piperazine is CSc1ccccc1N1CCNCC1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)piperazine?
The InChIKey is RXJURXTXLCOIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)piperazine?
1-(2-methylsulfanylphenyl)piperazine has a molecular weight of 208.33 g/mol, XLogP of 1.82, 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 is sourced from PubChem (CID 2736895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).