2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine

C15H24N2S — CID 79224352

IUPAC2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine
SMILESCCC1CNC(C)CN1CCSc1ccccc1
InChIInChI=1S/C15H24N2S/c1-3-14-11-16-13(2)12-17(14)9-10-18-15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3
InChIKeyIMHAZDKYKWFWSF-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.85
Rot. Bonds5

About 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine

2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine (PubChem CID 79224352) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine
PubChem CID79224352
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine
SMILESCCC1CNC(C)CN1CCSc1ccccc1
InChIInChI=1S/C15H24N2S/c1-3-14-11-16-13(2)12-17(14)9-10-18-15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3
InChIKeyIMHAZDKYKWFWSF-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine?
The IUPAC name of 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine (CID 79224352) is 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine.
What is the SMILES notation for 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine?
The canonical SMILES for 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine is CCC1CNC(C)CN1CCSc1ccccc1.
What is the InChIKey of 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine?
The InChIKey is IMHAZDKYKWFWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-14-11-16-13(2)12-17(14)9-10-18-15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine?
2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine has a molecular weight of 264.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine is sourced from PubChem (CID 79224352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).