1-(2-phenylsulfanylethyl)piperazine

C12H18N2S — CID 847305

IUPAC1-(2-phenylsulfanylethyl)piperazine
SMILESc1ccc(SCCN2CCNCC2)cc1
InChIInChI=1S/C12H18N2S/c1-2-4-12(5-3-1)15-11-10-14-8-6-13-7-9-14/h1-5,13H,6-11H2
InChIKeyKVSFTLLHQGAGKB-UHFFFAOYSA-N
MW222.36 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-phenylsulfanylethyl)piperazine

1-(2-phenylsulfanylethyl)piperazine (PubChem CID 847305) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)piperazine
PubChem CID847305
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-(2-phenylsulfanylethyl)piperazine
SMILESc1ccc(SCCN2CCNCC2)cc1
InChIInChI=1S/C12H18N2S/c1-2-4-12(5-3-1)15-11-10-14-8-6-13-7-9-14/h1-5,13H,6-11H2
InChIKeyKVSFTLLHQGAGKB-UHFFFAOYSA-N
XLogP1.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)piperazine?
The IUPAC name of 1-(2-phenylsulfanylethyl)piperazine (CID 847305) is 1-(2-phenylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)piperazine?
The canonical SMILES for 1-(2-phenylsulfanylethyl)piperazine is c1ccc(SCCN2CCNCC2)cc1.
What is the InChIKey of 1-(2-phenylsulfanylethyl)piperazine?
The InChIKey is KVSFTLLHQGAGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-4-12(5-3-1)15-11-10-14-8-6-13-7-9-14/h1-5,13H,6-11H2.
What are the key properties of 1-(2-phenylsulfanylethyl)piperazine?
1-(2-phenylsulfanylethyl)piperazine has a molecular weight of 222.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)piperazine is sourced from PubChem (CID 847305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).