3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine

C10H22N2O2S — CID 79550120

IUPAC3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
SMILESCC1CN(CC(C)(C)S(C)(=O)=O)CCN1
InChIInChI=1S/C10H22N2O2S/c1-9-7-12(6-5-11-9)8-10(2,3)15(4,13)14/h9,11H,5-8H2,1-4H3
InChIKeyPMRCZMTZUWFABN-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.10
Rot. Bonds3

About 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine

3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine (PubChem CID 79550120) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
PubChem CID79550120
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
SMILESCC1CN(CC(C)(C)S(C)(=O)=O)CCN1
InChIInChI=1S/C10H22N2O2S/c1-9-7-12(6-5-11-9)8-10(2,3)15(4,13)14/h9,11H,5-8H2,1-4H3
InChIKeyPMRCZMTZUWFABN-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
The IUPAC name of 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine (CID 79550120) is 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
The canonical SMILES for 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine is CC1CN(CC(C)(C)S(C)(=O)=O)CCN1.
What is the InChIKey of 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
The InChIKey is PMRCZMTZUWFABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9-7-12(6-5-11-9)8-10(2,3)15(4,13)14/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine?
3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine has a molecular weight of 234.36 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 79550120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).