5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine

C15H32N2O2S — CID 65096899

IUPAC5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
SMILESCCC1CN(CCCS(=O)(=O)CC)C(CC(C)C)CN1
InChIInChI=1S/C15H32N2O2S/c1-5-14-12-17(8-7-9-20(18,19)6-2)15(11-16-14)10-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyAUGFBXJVPYAFGZ-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds8

About 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine

5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine (PubChem CID 65096899) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
PubChem CID65096899
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
SMILESCCC1CN(CCCS(=O)(=O)CC)C(CC(C)C)CN1
InChIInChI=1S/C15H32N2O2S/c1-5-14-12-17(8-7-9-20(18,19)6-2)15(11-16-14)10-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyAUGFBXJVPYAFGZ-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 64841750
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314
5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64840877
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
CID 106732868
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine?
The IUPAC name of 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine (CID 65096899) is 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine?
The canonical SMILES for 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine is CCC1CN(CCCS(=O)(=O)CC)C(CC(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine?
The InChIKey is AUGFBXJVPYAFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-5-14-12-17(8-7-9-20(18,19)6-2)15(11-16-14)10-13(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine?
5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 65096899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).