3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione

C12H22N2O4S — CID 106733546

IUPAC3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(CCS(=O)(=O)C(C)C)C1=O
InChIInChI=1S/C12H22N2O4S/c1-5-10-12(16)14(9(4)11(15)13-10)6-7-19(17,18)8(2)3/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyMJMVRSKXNPUCAV-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.06
Rot. Bonds5

About 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione

3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione (PubChem CID 106733546) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
PubChem CID106733546
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(CCS(=O)(=O)C(C)C)C1=O
InChIInChI=1S/C12H22N2O4S/c1-5-10-12(16)14(9(4)11(15)13-10)6-7-19(17,18)8(2)3/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyMJMVRSKXNPUCAV-UHFFFAOYSA-N
XLogP-0.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
3-butan-2-yl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733586
3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione
CID 106009140
3-ethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazepane-2,5-dione
CID 106733796
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64902587
3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619332
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
1-(2-tert-butylsulfonylethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 106733445
6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64903765
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione (CID 106733546) is 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione is CCC1NC(=O)C(C)N(CCS(=O)(=O)C(C)C)C1=O.
What is the InChIKey of 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione?
The InChIKey is MJMVRSKXNPUCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-5-10-12(16)14(9(4)11(15)13-10)6-7-19(17,18)8(2)3/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione?
3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione has a molecular weight of 290.39 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione is sourced from PubChem (CID 106733546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).