1-methyl-3-(1-methylsulfanylethyl)piperazine

C8H18N2S — CID 143091885

IUPAC1-methyl-3-(1-methylsulfanylethyl)piperazine
SMILESCSC(C)C1CN(C)CCN1
InChIInChI=1S/C8H18N2S/c1-7(11-3)8-6-10(2)5-4-9-8/h7-9H,4-6H2,1-3H3
InChIKeyDKVMQIBISLUBSX-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.64
Rot. Bonds2

About 1-methyl-3-(1-methylsulfanylethyl)piperazine

1-methyl-3-(1-methylsulfanylethyl)piperazine (PubChem CID 143091885) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-methyl-3-(1-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-methyl-3-(1-methylsulfanylethyl)piperazine
PubChem CID143091885
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name1-methyl-3-(1-methylsulfanylethyl)piperazine
SMILESCSC(C)C1CN(C)CCN1
InChIInChI=1S/C8H18N2S/c1-7(11-3)8-6-10(2)5-4-9-8/h7-9H,4-6H2,1-3H3
InChIKeyDKVMQIBISLUBSX-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylsulfanylethyl)piperazine?
The IUPAC name of 1-methyl-3-(1-methylsulfanylethyl)piperazine (CID 143091885) is 1-methyl-3-(1-methylsulfanylethyl)piperazine.
What is the SMILES notation for 1-methyl-3-(1-methylsulfanylethyl)piperazine?
The canonical SMILES for 1-methyl-3-(1-methylsulfanylethyl)piperazine is CSC(C)C1CN(C)CCN1.
What is the InChIKey of 1-methyl-3-(1-methylsulfanylethyl)piperazine?
The InChIKey is DKVMQIBISLUBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-7(11-3)8-6-10(2)5-4-9-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-(1-methylsulfanylethyl)piperazine?
1-methyl-3-(1-methylsulfanylethyl)piperazine has a molecular weight of 174.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylsulfanylethyl)piperazine is sourced from PubChem (CID 143091885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).