3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine

C12H24N2S — CID 106432562

IUPAC3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
SMILESC=CCSCCN1CCNC(C)(CC)C1
InChIInChI=1S/C12H24N2S/c1-4-9-15-10-8-14-7-6-13-12(3,5-2)11-14/h4,13H,1,5-11H2,2-3H3
InChIKeySPNIGMUZNLOGKI-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.98
Rot. Bonds6

About 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine

3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine (PubChem CID 106432562) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
PubChem CID106432562
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
SMILESC=CCSCCN1CCNC(C)(CC)C1
InChIInChI=1S/C12H24N2S/c1-4-9-15-10-8-14-7-6-13-12(3,5-2)11-14/h4,13H,1,5-11H2,2-3H3
InChIKeySPNIGMUZNLOGKI-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
The IUPAC name of 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine (CID 106432562) is 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
The canonical SMILES for 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine is C=CCSCCN1CCNC(C)(CC)C1.
What is the InChIKey of 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
The InChIKey is SPNIGMUZNLOGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-4-9-15-10-8-14-7-6-13-12(3,5-2)11-14/h4,13H,1,5-11H2,2-3H3.
What are the key properties of 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine has a molecular weight of 228.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine is sourced from PubChem (CID 106432562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).