1-(1-cyclohexylsulfanylethyl)piperazine

C12H24N2S — CID 117035774

IUPAC1-(1-cyclohexylsulfanylethyl)piperazine
SMILESCC(SC1CCCCC1)N1CCNCC1
InChIInChI=1S/C12H24N2S/c1-11(14-9-7-13-8-10-14)15-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyLJZBMTYTIMKNFO-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.30
Rot. Bonds3

About 1-(1-cyclohexylsulfanylethyl)piperazine

1-(1-cyclohexylsulfanylethyl)piperazine (PubChem CID 117035774) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-(1-cyclohexylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(1-cyclohexylsulfanylethyl)piperazine
PubChem CID117035774
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-(1-cyclohexylsulfanylethyl)piperazine
SMILESCC(SC1CCCCC1)N1CCNCC1
InChIInChI=1S/C12H24N2S/c1-11(14-9-7-13-8-10-14)15-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyLJZBMTYTIMKNFO-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylsulfanylpropan-2-yl)piperazine
CID 117035734
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
cyclohexyl(piperazin-1-yl)methanamine
CID 116939842
1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
CID 69431994
1-(2-cyclohexylsulfanylpropan-2-yl)piperazine
CID 117035794
propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167698824
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157479144
1-[(1S)-1-[(2S)-piperidin-2-yl]ethyl]piperazine
CID 97297801
1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine
CID 97297803
1-cyclohexylsulfanylethanamine
CID 22450260
1-bromoethylsulfanylcyclohexane
CID 70102575
N-(cyclohexylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255716

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylsulfanylethyl)piperazine?
The IUPAC name of 1-(1-cyclohexylsulfanylethyl)piperazine (CID 117035774) is 1-(1-cyclohexylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(1-cyclohexylsulfanylethyl)piperazine?
The canonical SMILES for 1-(1-cyclohexylsulfanylethyl)piperazine is CC(SC1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-(1-cyclohexylsulfanylethyl)piperazine?
The InChIKey is LJZBMTYTIMKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-11(14-9-7-13-8-10-14)15-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-(1-cyclohexylsulfanylethyl)piperazine?
1-(1-cyclohexylsulfanylethyl)piperazine has a molecular weight of 228.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylsulfanylethyl)piperazine is sourced from PubChem (CID 117035774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).