2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine

C13H24N2S — CID 106432730

IUPAC2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine
SMILESC#CCSCCN1CC(C)(C)NCC1CC
InChIInChI=1S/C13H24N2S/c1-5-8-16-9-7-15-11-13(3,4)14-10-12(15)6-2/h1,12,14H,6-11H2,2-4H3
InChIKeyOHJJPMVDSJXUET-UHFFFAOYSA-N
MW240.42 g/mol
LogP1.82
Rot. Bonds5

About 2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine

2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine (PubChem CID 106432730) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine
PubChem CID106432730
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine
SMILESC#CCSCCN1CC(C)(C)NCC1CC
InChIInChI=1S/C13H24N2S/c1-5-8-16-9-7-15-11-13(3,4)14-10-12(15)6-2/h1,12,14H,6-11H2,2-4H3
InChIKeyOHJJPMVDSJXUET-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
The IUPAC name of 2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine (CID 106432730) is 2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine is C#CCSCCN1CC(C)(C)NCC1CC.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
The InChIKey is OHJJPMVDSJXUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-8-16-9-7-15-11-13(3,4)14-10-12(15)6-2/h1,12,14H,6-11H2,2-4H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine has a molecular weight of 240.42 g/mol, XLogP of 1.82, 5 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-(2-prop-2-ynylsulfanylethyl)piperazine is sourced from PubChem (CID 106432730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).