2-(methylsulfanylmethyl)piperazine

C6H14N2S — CID 55253252

IUPAC2-(methylsulfanylmethyl)piperazine
SMILESCSCC1CNCCN1
InChIInChI=1S/C6H14N2S/c1-9-5-6-4-7-2-3-8-6/h6-8H,2-5H2,1H3
InChIKeyMQXPHUDNQJRGRA-UHFFFAOYSA-N
MW146.26 g/mol
LogP-0.09
Rot. Bonds2

About 2-(methylsulfanylmethyl)piperazine

2-(methylsulfanylmethyl)piperazine (PubChem CID 55253252) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)piperazine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)piperazine
PubChem CID55253252
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name2-(methylsulfanylmethyl)piperazine
SMILESCSCC1CNCCN1
InChIInChI=1S/C6H14N2S/c1-9-5-6-4-7-2-3-8-6/h6-8H,2-5H2,1H3
InChIKeyMQXPHUDNQJRGRA-UHFFFAOYSA-N
XLogP-0.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)piperazine?
The IUPAC name of 2-(methylsulfanylmethyl)piperazine (CID 55253252) is 2-(methylsulfanylmethyl)piperazine.
What is the SMILES notation for 2-(methylsulfanylmethyl)piperazine?
The canonical SMILES for 2-(methylsulfanylmethyl)piperazine is CSCC1CNCCN1.
What is the InChIKey of 2-(methylsulfanylmethyl)piperazine?
The InChIKey is MQXPHUDNQJRGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-9-5-6-4-7-2-3-8-6/h6-8H,2-5H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)piperazine?
2-(methylsulfanylmethyl)piperazine has a molecular weight of 146.26 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)piperazine is sourced from PubChem (CID 55253252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).