1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione

C12H22N2O4S — CID 65096703

IUPAC1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCCS(=O)(=O)CCCN1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C12H22N2O4S/c1-5-19(17,18)8-6-7-14-9(2)10(15)13-12(3,4)11(14)16/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyUXWDABJXHOBKQD-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.06
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione

1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 65096703) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID65096703
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCCS(=O)(=O)CCCN1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C12H22N2O4S/c1-5-19(17,18)8-6-7-14-9(2)10(15)13-12(3,4)11(14)16/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyUXWDABJXHOBKQD-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

6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
CID 65096750
1-(2-ethoxyethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875371
6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64873811
6-tert-butyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64902557
3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
CID 106733595
3,3,6-trimethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619336
1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64873808
1-(3-ethylsulfonylpropyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 65096557
3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64970120
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
3-ethyl-3,6-dimethyl-1-pent-4-ynylpiperazine-2,5-dione
CID 114160161
3-ethyl-1-(3-ethylsulfonylpropyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 65096272

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione (CID 65096703) is 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione is CCS(=O)(=O)CCCN1C(=O)C(C)(C)NC(=O)C1C.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is UXWDABJXHOBKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-5-19(17,18)8-6-7-14-9(2)10(15)13-12(3,4)11(14)16/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione?
1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-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 1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 65096703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).