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

C11H22N2S — CID 106432640

IUPAC3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine
SMILESC=CCSCCN1CCNC(CC)C1
InChIInChI=1S/C11H22N2S/c1-3-8-14-9-7-13-6-5-12-11(4-2)10-13/h3,11-12H,1,4-10H2,2H3
InChIKeyHZLJDFTWIZXPKH-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds6

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

3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine (PubChem CID 106432640) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine.

Molecular Properties

Compound Name3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine
PubChem CID106432640
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine
SMILESC=CCSCCN1CCNC(CC)C1
InChIInChI=1S/C11H22N2S/c1-3-8-14-9-7-13-6-5-12-11(4-2)10-13/h3,11-12H,1,4-10H2,2H3
InChIKeyHZLJDFTWIZXPKH-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
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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Related Compounds

1-(Prop-2-enylsulfanylmethyl)piperazine
CID 68130499
3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine
CID 138508367
1-(3-Prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine
CID 166455970
2-(Thiomorpholin-4-yl)butan-1-amine
CID 43210654
1-Thiomorpholin-4-ylbutan-2-amine
CID 43649737
N-(2-thiomorpholin-4-ylethyl)butan-2-amine
CID 60854480
N-methyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62419037
N-ethyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62419038
N-propyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62419039
N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
CID 62419040
N-methyl-2-thiomorpholin-4-ylbutan-1-amine
CID 62419244
N-ethyl-2-thiomorpholin-4-ylbutan-1-amine
CID 62419245

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
The IUPAC name of 3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine (CID 106432640) is 3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine.
What is the SMILES notation for 3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
The canonical SMILES for 3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine is C=CCSCCN1CCNC(CC)C1.
What is the InChIKey of 3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
The InChIKey is HZLJDFTWIZXPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-8-14-9-7-13-6-5-12-11(4-2)10-13/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine?
3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine is sourced from PubChem (CID 106432640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).