1-(2-methylsulfanylethyl)piperazine

C7H16N2S — CID 13154310

IUPAC1-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CCNCC1
InChIInChI=1S/C7H16N2S/c1-10-7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3
InChIKeyUGZMAGZLJLYEAN-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.25
Rot. Bonds3

About 1-(2-methylsulfanylethyl)piperazine

1-(2-methylsulfanylethyl)piperazine (PubChem CID 13154310) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)piperazine
PubChem CID13154310
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name1-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CCNCC1
InChIInChI=1S/C7H16N2S/c1-10-7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3
InChIKeyUGZMAGZLJLYEAN-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 1-(2-methylsulfanylethyl)piperazine (CID 13154310) is 1-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 1-(2-methylsulfanylethyl)piperazine is CSCCN1CCNCC1.
What is the InChIKey of 1-(2-methylsulfanylethyl)piperazine?
The InChIKey is UGZMAGZLJLYEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-10-7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-methylsulfanylethyl)piperazine?
1-(2-methylsulfanylethyl)piperazine has a molecular weight of 160.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 13154310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).