1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine

C9H18N2S — CID 123637088

IUPAC1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine
SMILESCSC=C(C)CN1CCNCC1
InChIInChI=1S/C9H18N2S/c1-9(8-12-2)7-11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3
InChIKeyLICUWMUVNBITJT-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.16
Rot. Bonds3

About 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine

1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine (PubChem CID 123637088) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine
PubChem CID123637088
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine
SMILESCSC=C(C)CN1CCNCC1
InChIInChI=1S/C9H18N2S/c1-9(8-12-2)7-11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3
InChIKeyLICUWMUVNBITJT-UHFFFAOYSA-N
XLogP1.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine?
The IUPAC name of 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine (CID 123637088) is 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine?
The canonical SMILES for 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine is CSC=C(C)CN1CCNCC1.
What is the InChIKey of 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine?
The InChIKey is LICUWMUVNBITJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-9(8-12-2)7-11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine?
1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine has a molecular weight of 186.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylsulfanylprop-2-enyl)piperazine is sourced from PubChem (CID 123637088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).