5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine

C15H30N2S — CID 114122796

IUPAC5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine
SMILESCCC1(C)CN(C2CCCCC2SC)C(C)CN1
InChIInChI=1S/C15H30N2S/c1-5-15(3)11-17(12(2)10-16-15)13-8-6-7-9-14(13)18-4/h12-14,16H,5-11H2,1-4H3
InChIKeyPWHXWWZHZHUOON-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.12
Rot. Bonds3

About 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine

5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine (PubChem CID 114122796) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine
PubChem CID114122796
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine
SMILESCCC1(C)CN(C2CCCCC2SC)C(C)CN1
InChIInChI=1S/C15H30N2S/c1-5-15(3)11-17(12(2)10-16-15)13-8-6-7-9-14(13)18-4/h12-14,16H,5-11H2,1-4H3
InChIKeyPWHXWWZHZHUOON-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)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-ethyl-2,5-dimethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine
CID 79350282
1-(cyclohexylmethyl)-5-ethyl-2,5-dimethylpiperazine
CID 64847892
1-(1-cyclopropylpyrrolidin-3-yl)-5-ethyl-2,5-dimethylpiperazine
CID 64947502
1-cyclopentyl-2,5-diethyl-5-methylpiperazine
CID 64931233
5-ethyl-2,5-dimethyl-1-(1-methylcyclohexyl)piperazine
CID 64947335
5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine
CID 64940499
1-cyclooctyl-2,5-diethyl-5-methylpiperazine
CID 64930575
1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64932045
1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine
CID 64939777
1-cyclopentyl-5-ethyl-5-methyl-2-phenylpiperazine
CID 64932022
2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine
CID 82936177
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine?
The IUPAC name of 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine (CID 114122796) is 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine.
What is the SMILES notation for 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine?
The canonical SMILES for 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine is CCC1(C)CN(C2CCCCC2SC)C(C)CN1.
What is the InChIKey of 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine?
The InChIKey is PWHXWWZHZHUOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-5-15(3)11-17(12(2)10-16-15)13-8-6-7-9-14(13)18-4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine?
5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine has a molecular weight of 270.49 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine is sourced from PubChem (CID 114122796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).