1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine

C13H26N2S — CID 117035698

IUPAC1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine
SMILESCC(C)(CN1CCNCC1)SC1CCCC1
InChIInChI=1S/C13H26N2S/c1-13(2,16-12-5-3-4-6-12)11-15-9-7-14-8-10-15/h12,14H,3-11H2,1-2H3
InChIKeyAORRUXUAIWDIPK-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.35
Rot. Bonds4

About 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine

1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine (PubChem CID 117035698) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine
PubChem CID117035698
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine
SMILESCC(C)(CN1CCNCC1)SC1CCCC1
InChIInChI=1S/C13H26N2S/c1-13(2,16-12-5-3-4-6-12)11-15-9-7-14-8-10-15/h12,14H,3-11H2,1-2H3
InChIKeyAORRUXUAIWDIPK-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylsulfanylpropan-2-yl)piperazine
CID 117035794
1-(2-cyclobutyl-2-methylpropyl)piperazine
CID 116829836
N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 115255287
N,N,2-trimethyl-1-piperazin-1-ylpropan-2-amine
CID 50852334
1-(2,2-dimethylpentyl)piperazine
CID 83530331
1-[2-(hexyldisulfanyl)-2-methylpropyl]piperazine
CID 118569824
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131
tert-butylsulfanylcyclopentane
CID 545340
1-(2,2,4,4-tetramethylhexyl)piperazine
CID 134351462
tert-butylsulfanylcycloundecane
CID 123259854
1-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazine
CID 51614709
2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 116946591

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine?
The IUPAC name of 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine (CID 117035698) is 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine is CC(C)(CN1CCNCC1)SC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine?
The InChIKey is AORRUXUAIWDIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-13(2,16-12-5-3-4-6-12)11-15-9-7-14-8-10-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine?
1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine has a molecular weight of 242.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine is sourced from PubChem (CID 117035698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).