1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione

C12H22N2O4S — CID 106733638

IUPAC1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O4S/c1-5-9-11(16)13-8-10(15)14(9)6-7-19(17,18)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyDJPOVEGHNWGMCY-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.06
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione

1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione (PubChem CID 106733638) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione
PubChem CID106733638
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O4S/c1-5-9-11(16)13-8-10(15)14(9)6-7-19(17,18)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyDJPOVEGHNWGMCY-UHFFFAOYSA-N
XLogP-0.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione (CID 106733638) is 1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione?
The InChIKey is DJPOVEGHNWGMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-5-9-11(16)13-8-10(15)14(9)6-7-19(17,18)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16).
What are the key properties of 1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione?
1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione has a molecular weight of 290.39 g/mol, XLogP of -0.06, 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-ethylpiperazine-2,5-dione is sourced from PubChem (CID 106733638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).