5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine

C14H30N2O2S — CID 64847770

IUPAC5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
SMILESCCCC1CNC(CC(C)C)CN1CCS(C)(=O)=O
InChIInChI=1S/C14H30N2O2S/c1-5-6-14-10-15-13(9-12(2)3)11-16(14)7-8-19(4,17)18/h12-15H,5-11H2,1-4H3
InChIKeyGGDVGHJKFVEHOG-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds7

About 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine

5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine (PubChem CID 64847770) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
PubChem CID64847770
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
SMILESCCCC1CNC(CC(C)C)CN1CCS(C)(=O)=O
InChIInChI=1S/C14H30N2O2S/c1-5-6-14-10-15-13(9-12(2)3)11-16(14)7-8-19(4,17)18/h12-15H,5-11H2,1-4H3
InChIKeyGGDVGHJKFVEHOG-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
CID 106732868
5-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)-2-propylpiperazine
CID 64849887
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine
CID 64849696
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine?
The IUPAC name of 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine (CID 64847770) is 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine.
What is the SMILES notation for 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine?
The canonical SMILES for 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine is CCCC1CNC(CC(C)C)CN1CCS(C)(=O)=O.
What is the InChIKey of 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine?
The InChIKey is GGDVGHJKFVEHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-6-14-10-15-13(9-12(2)3)11-16(14)7-8-19(4,17)18/h12-15H,5-11H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine?
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine is sourced from PubChem (CID 64847770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).