5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine

C14H30N2O2S — CID 106732978

IUPAC5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCC1CN(CCS(=O)(=O)C(C)C)C(C(C)C)CN1
InChIInChI=1S/C14H30N2O2S/c1-6-13-10-16(14(9-15-13)11(2)3)7-8-19(17,18)12(4)5/h11-15H,6-10H2,1-5H3
InChIKeyVFLKSCDXOVHOII-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds6

About 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine

5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine (PubChem CID 106732978) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
PubChem CID106732978
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCC1CN(CCS(=O)(=O)C(C)C)C(C(C)C)CN1
InChIInChI=1S/C14H30N2O2S/c1-6-13-10-16(14(9-15-13)11(2)3)7-8-19(17,18)12(4)5/h11-15H,6-10H2,1-5H3
InChIKeyVFLKSCDXOVHOII-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
CID 113488310
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 114516829
5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64942232
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
CID 106732868
2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
CID 106732887
5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64934070
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The IUPAC name of 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine (CID 106732978) is 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine.
What is the SMILES notation for 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The canonical SMILES for 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine is CCC1CN(CCS(=O)(=O)C(C)C)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The InChIKey is VFLKSCDXOVHOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-6-13-10-16(14(9-15-13)11(2)3)7-8-19(17,18)12(4)5/h11-15H,6-10H2,1-5H3.
What are the key properties of 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine?
5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine is sourced from PubChem (CID 106732978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).