1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione

C13H24N2O4S — CID 106733454

IUPAC1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H24N2O4S/c1-6-10-11(16)14-9(2)12(17)15(10)7-8-20(18,19)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyLHGZKICJMQNNMC-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.33
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione

1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 106733454) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID106733454
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H24N2O4S/c1-6-10-11(16)14-9(2)12(17)15(10)7-8-20(18,19)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyLHGZKICJMQNNMC-UHFFFAOYSA-N
XLogP0.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
1-(2-tert-butylsulfonylethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 106733752
1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione
CID 106733638
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione
CID 102908625
1-(2-tert-butylsulfonylethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 106733445
3-cyclopropyl-6-ethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64884857
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
CID 113484531
6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64960897

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione (CID 106733454) is 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is LHGZKICJMQNNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-6-10-11(16)14-9(2)12(17)15(10)7-8-20(18,19)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione?
1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 304.41 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 106733454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).