1-(2-ethylsulfanylethyl)piperazine

C8H18N2S — CID 45099606

IUPAC1-(2-ethylsulfanylethyl)piperazine
SMILESCCSCCN1CCNCC1
InChIInChI=1S/C8H18N2S/c1-2-11-8-7-10-5-3-9-4-6-10/h9H,2-8H2,1H3
InChIKeyMIKMODBDKJLHEI-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.64
Rot. Bonds4

About 1-(2-ethylsulfanylethyl)piperazine

1-(2-ethylsulfanylethyl)piperazine (PubChem CID 45099606) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)piperazine
PubChem CID45099606
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name1-(2-ethylsulfanylethyl)piperazine
SMILESCCSCCN1CCNCC1
InChIInChI=1S/C8H18N2S/c1-2-11-8-7-10-5-3-9-4-6-10/h9H,2-8H2,1H3
InChIKeyMIKMODBDKJLHEI-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Thiomorpholin-4-yl)ethan-1-amine
CID 2773200
2-Thiomorpholinopropan-1-amine
CID 19106744
7-Thia-1,4-diazanonane
CID 11298051
1-Thia-4,7,10-triazacyclododecane
CID 15426811
1-(2-(Methylsulfanyl)ethyl)piperazine
CID 13154310
1-(2-Methanesulfinylethyl)piperazine
CID 51342128
1-(2-Ethylsulfanylethynyl)piperazine
CID 13539029
8,8-Dimethyl-7-thia-1,4-diazanonane
CID 23422652
1-(2-Ethylsulfanylethyl)-1,4-dimethylpiperazin-1-ium
CID 91034346
1-(2-Methylsulfanylethylsulfanyl)piperazine
CID 134871210
1-(2-Butylsulfanylethynyl)piperazine
CID 134920718
1-(2-Propylsulfanylethynyl)piperazine
CID 134987593

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)piperazine?
The IUPAC name of 1-(2-ethylsulfanylethyl)piperazine (CID 45099606) is 1-(2-ethylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)piperazine?
The canonical SMILES for 1-(2-ethylsulfanylethyl)piperazine is CCSCCN1CCNCC1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)piperazine?
The InChIKey is MIKMODBDKJLHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-2-11-8-7-10-5-3-9-4-6-10/h9H,2-8H2,1H3.
What are the key properties of 1-(2-ethylsulfanylethyl)piperazine?
1-(2-ethylsulfanylethyl)piperazine has a molecular weight of 174.31 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)piperazine is sourced from PubChem (CID 45099606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).