1-(2-methylsulfinylethyl)piperazine

C7H16N2OS — CID 51342128

IUPAC1-(2-methylsulfinylethyl)piperazine
SMILESCS(=O)CCN1CCNCC1
InChIInChI=1S/C7H16N2OS/c1-11(10)7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3
InChIKeyMFYAUHMFEPQTJO-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.73
Rot. Bonds3

About 1-(2-methylsulfinylethyl)piperazine

1-(2-methylsulfinylethyl)piperazine (PubChem CID 51342128) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-(2-methylsulfinylethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylsulfinylethyl)piperazine
PubChem CID51342128
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name1-(2-methylsulfinylethyl)piperazine
SMILESCS(=O)CCN1CCNCC1
InChIInChI=1S/C7H16N2OS/c1-11(10)7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3
InChIKeyMFYAUHMFEPQTJO-UHFFFAOYSA-N
XLogP-0.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfinylethyl)piperazine?
The IUPAC name of 1-(2-methylsulfinylethyl)piperazine (CID 51342128) is 1-(2-methylsulfinylethyl)piperazine.
What is the SMILES notation for 1-(2-methylsulfinylethyl)piperazine?
The canonical SMILES for 1-(2-methylsulfinylethyl)piperazine is CS(=O)CCN1CCNCC1.
What is the InChIKey of 1-(2-methylsulfinylethyl)piperazine?
The InChIKey is MFYAUHMFEPQTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-11(10)7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-methylsulfinylethyl)piperazine?
1-(2-methylsulfinylethyl)piperazine has a molecular weight of 176.28 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylethyl)piperazine is sourced from PubChem (CID 51342128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).