5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine

C17H28N2S — CID 107646420

IUPAC5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccccc1SC
InChIInChI=1S/C17H28N2S/c1-6-13-11-18-16(17(2,3)4)12-19(13)14-9-7-8-10-15(14)20-5/h7-10,13,16,18H,6,11-12H2,1-5H3
InChIKeySBTJMWSRGWHDGL-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.01
Rot. Bonds3

About 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine

5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine (PubChem CID 107646420) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
PubChem CID107646420
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccccc1SC
InChIInChI=1S/C17H28N2S/c1-6-13-11-18-16(17(2,3)4)12-19(13)14-9-7-8-10-15(14)20-5/h7-10,13,16,18H,6,11-12H2,1-5H3
InChIKeySBTJMWSRGWHDGL-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931164
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64948188
5-tert-butyl-2-ethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64941928
5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
CID 107639962
5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine
CID 64947856
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
CID 64945887
5-tert-butyl-2-ethyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64940572
4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64933884
5-tert-butyl-1-(2,6-difluoro-3-methylphenyl)-2-ethylpiperazine
CID 82802883
5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine
CID 64947479
5-cyclopropyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931562

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine (CID 107646420) is 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine is CCC1CNC(C(C)(C)C)CN1c1ccccc1SC.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine?
The InChIKey is SBTJMWSRGWHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-6-13-11-18-16(17(2,3)4)12-19(13)14-9-7-8-10-15(14)20-5/h7-10,13,16,18H,6,11-12H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine?
5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine has a molecular weight of 292.49 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine is sourced from PubChem (CID 107646420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).