2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine

C14H28N2S — CID 114122859

IUPAC2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine
SMILESCCC1CNC(C)(C)CN1C1CCC(SC)C1
InChIInChI=1S/C14H28N2S/c1-5-11-9-15-14(2,3)10-16(11)12-6-7-13(8-12)17-4/h11-13,15H,5-10H2,1-4H3
InChIKeyBYIVARMTRYNKJF-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.73
Rot. Bonds3

About 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine

2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine (PubChem CID 114122859) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine
PubChem CID114122859
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine
SMILESCCC1CNC(C)(C)CN1C1CCC(SC)C1
InChIInChI=1S/C14H28N2S/c1-5-11-9-15-14(2,3)10-16(11)12-6-7-13(8-12)17-4/h11-13,15H,5-10H2,1-4H3
InChIKeyBYIVARMTRYNKJF-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5,5-dimethyl-1-(4-methylcyclohexyl)piperazine
CID 64932642
2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64933663
1-(2,4-dimethylcyclohexyl)-2-ethyl-5,5-dimethylpiperazine
CID 64941054
1-(2,3-dimethylcyclopentyl)-2-ethyl-5,5-dimethylpiperazine
CID 64940916
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-5,5-dimethylpiperazine
CID 64939537
[5,5-dimethyl-1-(3-methylcyclohexyl)piperazin-2-yl]methanol
CID 82243703
1-cyclopentyl-2,5-diethyl-5-methylpiperazine
CID 64931233
2,5,5-triethyl-1-(3-methylcyclohexyl)piperazine
CID 64935770
1-cycloheptyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 82936683
1-cyclooctyl-2,5-diethyl-5-methylpiperazine
CID 64930575
2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432730
2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64935587

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine?
The IUPAC name of 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine (CID 114122859) is 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine is CCC1CNC(C)(C)CN1C1CCC(SC)C1.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine?
The InChIKey is BYIVARMTRYNKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-5-11-9-15-14(2,3)10-16(11)12-6-7-13(8-12)17-4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine?
2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine has a molecular weight of 256.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1-(3-methylsulfanylcyclopentyl)piperazine is sourced from PubChem (CID 114122859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).