1-(3-phenylsulfanylphenyl)piperazine

C16H18N2S — CID 54586996

IUPAC1-(3-phenylsulfanylphenyl)piperazine
SMILESc1ccc(Sc2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C16H18N2S/c1-2-6-15(7-3-1)19-16-8-4-5-14(13-16)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
InChIKeyJIORHHHBXADHQY-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.25
Rot. Bonds3

About 1-(3-phenylsulfanylphenyl)piperazine

1-(3-phenylsulfanylphenyl)piperazine (PubChem CID 54586996) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(3-phenylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-phenylsulfanylphenyl)piperazine
PubChem CID54586996
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name1-(3-phenylsulfanylphenyl)piperazine
SMILESc1ccc(Sc2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C16H18N2S/c1-2-6-15(7-3-1)19-16-8-4-5-14(13-16)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
InChIKeyJIORHHHBXADHQY-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylsulfanylphenyl)piperazine?
The IUPAC name of 1-(3-phenylsulfanylphenyl)piperazine (CID 54586996) is 1-(3-phenylsulfanylphenyl)piperazine.
What is the SMILES notation for 1-(3-phenylsulfanylphenyl)piperazine?
The canonical SMILES for 1-(3-phenylsulfanylphenyl)piperazine is c1ccc(Sc2cccc(N3CCNCC3)c2)cc1.
What is the InChIKey of 1-(3-phenylsulfanylphenyl)piperazine?
The InChIKey is JIORHHHBXADHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-6-15(7-3-1)19-16-8-4-5-14(13-16)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2.
What are the key properties of 1-(3-phenylsulfanylphenyl)piperazine?
1-(3-phenylsulfanylphenyl)piperazine has a molecular weight of 270.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylsulfanylphenyl)piperazine is sourced from PubChem (CID 54586996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).