1-methyl-4-methylsulfonylpiperazine

C6H14N2O2S — CID 817770

IUPAC1-methyl-4-methylsulfonylpiperazine
SMILESCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H2,1-2H3
InChIKeyYDOGEBDDNZDNJY-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.81
Rot. Bonds1

About 1-methyl-4-methylsulfonylpiperazine

1-methyl-4-methylsulfonylpiperazine (PubChem CID 817770) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-methyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-methylsulfonylpiperazine
PubChem CID817770
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-methyl-4-methylsulfonylpiperazine
SMILESCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H2,1-2H3
InChIKeyYDOGEBDDNZDNJY-UHFFFAOYSA-N
XLogP-0.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-methyl-4-methylsulfonylpiperazine (CID 817770) is 1-methyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-methyl-4-methylsulfonylpiperazine is CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methyl-4-methylsulfonylpiperazine?
The InChIKey is YDOGEBDDNZDNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfonylpiperazine?
1-methyl-4-methylsulfonylpiperazine has a molecular weight of 178.26 g/mol, XLogP of -0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 817770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).