2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine

C13H28N2O2S — CID 79549772

IUPAC2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine
SMILESCCCC1CN(CC(C)(C)S(C)(=O)=O)C(C)CN1
InChIInChI=1S/C13H28N2O2S/c1-6-7-12-9-15(11(2)8-14-12)10-13(3,4)18(5,16)17/h11-12,14H,6-10H2,1-5H3
InChIKeyFVSBBISKLGJOME-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds5

About 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine

2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine (PubChem CID 79549772) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine
PubChem CID79549772
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine
SMILESCCCC1CN(CC(C)(C)S(C)(=O)=O)C(C)CN1
InChIInChI=1S/C13H28N2O2S/c1-6-7-12-9-15(11(2)8-14-12)10-13(3,4)18(5,16)17/h11-12,14H,6-10H2,1-5H3
InChIKeyFVSBBISKLGJOME-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine?
The IUPAC name of 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine (CID 79549772) is 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine?
The canonical SMILES for 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine is CCCC1CN(CC(C)(C)S(C)(=O)=O)C(C)CN1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine?
The InChIKey is FVSBBISKLGJOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-6-7-12-9-15(11(2)8-14-12)10-13(3,4)18(5,16)17/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine?
2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine is sourced from PubChem (CID 79549772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).