2-(2-phenylsulfanylethyl)piperazine

C12H18N2S — CID 69215324

IUPAC2-(2-phenylsulfanylethyl)piperazine
SMILESc1ccc(SCCC2CNCCN2)cc1
InChIInChI=1S/C12H18N2S/c1-2-4-12(5-3-1)15-9-6-11-10-13-7-8-14-11/h1-5,11,13-14H,6-10H2
InChIKeyXSUSUHKVNOVYHG-UHFFFAOYSA-N
MW222.36 g/mol
LogP1.73
Rot. Bonds4

About 2-(2-phenylsulfanylethyl)piperazine

2-(2-phenylsulfanylethyl)piperazine (PubChem CID 69215324) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethyl)piperazine.

Molecular Properties

Compound Name2-(2-phenylsulfanylethyl)piperazine
PubChem CID69215324
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-(2-phenylsulfanylethyl)piperazine
SMILESc1ccc(SCCC2CNCCN2)cc1
InChIInChI=1S/C12H18N2S/c1-2-4-12(5-3-1)15-9-6-11-10-13-7-8-14-11/h1-5,11,13-14H,6-10H2
InChIKeyXSUSUHKVNOVYHG-UHFFFAOYSA-N
XLogP1.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethyl)piperazine?
The IUPAC name of 2-(2-phenylsulfanylethyl)piperazine (CID 69215324) is 2-(2-phenylsulfanylethyl)piperazine.
What is the SMILES notation for 2-(2-phenylsulfanylethyl)piperazine?
The canonical SMILES for 2-(2-phenylsulfanylethyl)piperazine is c1ccc(SCCC2CNCCN2)cc1.
What is the InChIKey of 2-(2-phenylsulfanylethyl)piperazine?
The InChIKey is XSUSUHKVNOVYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-4-12(5-3-1)15-9-6-11-10-13-7-8-14-11/h1-5,11,13-14H,6-10H2.
What are the key properties of 2-(2-phenylsulfanylethyl)piperazine?
2-(2-phenylsulfanylethyl)piperazine has a molecular weight of 222.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethyl)piperazine is sourced from PubChem (CID 69215324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).