1-methyl-4-(methylsulfanylmethyl)piperazine

C7H16N2S — CID 118263141

IUPAC1-methyl-4-(methylsulfanylmethyl)piperazine
SMILESCSCN1CCN(C)CC1
InChIInChI=1S/C7H16N2S/c1-8-3-5-9(6-4-8)7-10-2/h3-7H2,1-2H3
InChIKeyCQAGWQCYPPKWSQ-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.55
Rot. Bonds2

About 1-methyl-4-(methylsulfanylmethyl)piperazine

1-methyl-4-(methylsulfanylmethyl)piperazine (PubChem CID 118263141) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfanylmethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(methylsulfanylmethyl)piperazine
PubChem CID118263141
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name1-methyl-4-(methylsulfanylmethyl)piperazine
SMILESCSCN1CCN(C)CC1
InChIInChI=1S/C7H16N2S/c1-8-3-5-9(6-4-8)7-10-2/h3-7H2,1-2H3
InChIKeyCQAGWQCYPPKWSQ-UHFFFAOYSA-N
XLogP0.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylsulfanylmethyl)piperazine?
The IUPAC name of 1-methyl-4-(methylsulfanylmethyl)piperazine (CID 118263141) is 1-methyl-4-(methylsulfanylmethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(methylsulfanylmethyl)piperazine?
The canonical SMILES for 1-methyl-4-(methylsulfanylmethyl)piperazine is CSCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(methylsulfanylmethyl)piperazine?
The InChIKey is CQAGWQCYPPKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-8-3-5-9(6-4-8)7-10-2/h3-7H2,1-2H3.
What are the key properties of 1-methyl-4-(methylsulfanylmethyl)piperazine?
1-methyl-4-(methylsulfanylmethyl)piperazine has a molecular weight of 160.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylsulfanylmethyl)piperazine is sourced from PubChem (CID 118263141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).