1-(2-cyclohexylsulfanylpropan-2-yl)piperazine

C13H26N2S — CID 117035794

IUPAC1-(2-cyclohexylsulfanylpropan-2-yl)piperazine
SMILESCC(C)(SC1CCCCC1)N1CCNCC1
InChIInChI=1S/C13H26N2S/c1-13(2,15-10-8-14-9-11-15)16-12-6-4-3-5-7-12/h12,14H,3-11H2,1-2H3
InChIKeyJHLITHLBQZMZJN-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine

1-(2-cyclohexylsulfanylpropan-2-yl)piperazine (PubChem CID 117035794) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-cyclohexylsulfanylpropan-2-yl)piperazine
PubChem CID117035794
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-(2-cyclohexylsulfanylpropan-2-yl)piperazine
SMILESCC(C)(SC1CCCCC1)N1CCNCC1
InChIInChI=1S/C13H26N2S/c1-13(2,15-10-8-14-9-11-15)16-12-6-4-3-5-7-12/h12,14H,3-11H2,1-2H3
InChIKeyJHLITHLBQZMZJN-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine
CID 117035698
1-cyclohexyl-1-piperazin-1-ylethanol
CID 69265314
1-cyclohexyl-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599107
tert-butylsulfanylcycloundecane
CID 123259854
1-(2-cyclobutylpropan-2-yl)piperazine
CID 116964788
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
CID 80551419
1-(1-cyclohexylsulfanylethyl)piperazine
CID 117035774
tert-butylsulfanylcyclopentane
CID 545340
N-(2-methyl-2-piperazin-1-ylpropyl)cyclopentanamine
CID 80551380
2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid
CID 63323969
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
1-(1-cyclohexylsulfanylpropan-2-yl)piperazine
CID 117035734

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine?
The IUPAC name of 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine (CID 117035794) is 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine.
What is the SMILES notation for 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine?
The canonical SMILES for 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine is CC(C)(SC1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine?
The InChIKey is JHLITHLBQZMZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-13(2,15-10-8-14-9-11-15)16-12-6-4-3-5-7-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine?
1-(2-cyclohexylsulfanylpropan-2-yl)piperazine has a molecular weight of 242.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylsulfanylpropan-2-yl)piperazine is sourced from PubChem (CID 117035794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).