1-(5-chloro-2-ethylsulfanylphenyl)piperazine

C12H17ClN2S — CID 82017709

IUPAC1-(5-chloro-2-ethylsulfanylphenyl)piperazine
SMILESCCSc1ccc(Cl)cc1N1CCNCC1
InChIInChI=1S/C12H17ClN2S/c1-2-16-12-4-3-10(13)9-11(12)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyRZQLFFBRLLFWTP-UHFFFAOYSA-N
MW256.80 g/mol
LogP2.86
Rot. Bonds3

About 1-(5-chloro-2-ethylsulfanylphenyl)piperazine

1-(5-chloro-2-ethylsulfanylphenyl)piperazine (PubChem CID 82017709) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-(5-chloro-2-ethylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-ethylsulfanylphenyl)piperazine
PubChem CID82017709
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name1-(5-chloro-2-ethylsulfanylphenyl)piperazine
SMILESCCSc1ccc(Cl)cc1N1CCNCC1
InChIInChI=1S/C12H17ClN2S/c1-2-16-12-4-3-10(13)9-11(12)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyRZQLFFBRLLFWTP-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethylsulfanylphenyl)piperazine?
The IUPAC name of 1-(5-chloro-2-ethylsulfanylphenyl)piperazine (CID 82017709) is 1-(5-chloro-2-ethylsulfanylphenyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-ethylsulfanylphenyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-ethylsulfanylphenyl)piperazine is CCSc1ccc(Cl)cc1N1CCNCC1.
What is the InChIKey of 1-(5-chloro-2-ethylsulfanylphenyl)piperazine?
The InChIKey is RZQLFFBRLLFWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-2-16-12-4-3-10(13)9-11(12)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of 1-(5-chloro-2-ethylsulfanylphenyl)piperazine?
1-(5-chloro-2-ethylsulfanylphenyl)piperazine has a molecular weight of 256.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethylsulfanylphenyl)piperazine is sourced from PubChem (CID 82017709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).