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

C8H18N2O2S — CID 64833986

IUPAC3-methyl-1-(2-methylsulfonylethyl)piperazine
SMILESCC1CN(CCS(C)(=O)=O)CCN1
InChIInChI=1S/C8H18N2O2S/c1-8-7-10(4-3-9-8)5-6-13(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyIBDSXEJATWQMSE-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.68
Rot. Bonds3

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

3-methyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64833986) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-methyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID64833986
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-methyl-1-(2-methylsulfonylethyl)piperazine
SMILESCC1CN(CCS(C)(=O)=O)CCN1
InChIInChI=1S/C8H18N2O2S/c1-8-7-10(4-3-9-8)5-6-13(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyIBDSXEJATWQMSE-UHFFFAOYSA-N
XLogP-0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.68
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-methylsulfonylethyl)piperazine?
The IUPAC name of 3-methyl-1-(2-methylsulfonylethyl)piperazine (CID 64833986) is 3-methyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 3-methyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 3-methyl-1-(2-methylsulfonylethyl)piperazine is CC1CN(CCS(C)(=O)=O)CCN1.
What is the InChIKey of 3-methyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is IBDSXEJATWQMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8-7-10(4-3-9-8)5-6-13(2,11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methylsulfonylethyl)piperazine?
3-methyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 206.31 g/mol, XLogP of -0.68, 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-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64833986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).