1-(2-methylsulfonylethyl)piperazine

C7H16N2O2S — CID 3801959

IUPAC1-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3
InChIKeyCTIYSVWSRPUAAZ-UHFFFAOYSA-N
MW192.28 g/mol
LogP-1.06
Rot. Bonds3

About 1-(2-methylsulfonylethyl)piperazine

1-(2-methylsulfonylethyl)piperazine (PubChem CID 3801959) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)piperazine
PubChem CID3801959
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3
InChIKeyCTIYSVWSRPUAAZ-UHFFFAOYSA-N
XLogP-1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 1-(2-methylsulfonylethyl)piperazine (CID 3801959) is 1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)piperazine?
The InChIKey is CTIYSVWSRPUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)piperazine?
1-(2-methylsulfonylethyl)piperazine has a molecular weight of 192.28 g/mol, XLogP of -1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 3801959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).