6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione

C14H26N2O4S — CID 65096559

IUPAC6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1CCCS(=O)(=O)CC
InChIInChI=1S/C14H26N2O4S/c1-5-14(6-2)13(18)15-11(4)12(17)16(14)9-8-10-21(19,20)7-3/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyOWKUPVBWDQNFKM-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.72
Rot. Bonds7

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

6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione (PubChem CID 65096559) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione
PubChem CID65096559
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1CCCS(=O)(=O)CC
InChIInChI=1S/C14H26N2O4S/c1-5-14(6-2)13(18)15-11(4)12(17)16(14)9-8-10-21(19,20)7-3/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyOWKUPVBWDQNFKM-UHFFFAOYSA-N
XLogP0.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylsulfonylpropyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 65096557
6,6-diethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione
CID 81113601
6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione
CID 65096606
3,6,6-triethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64903402
6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 103184637
1-(cyclopentylmethyl)-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 64873323
1-[(E)-3-chloroprop-2-enyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 107902012
6-ethyl-3,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64874502
6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056364
3,6,6-triethyl-1-pentylpiperazine-2,5-dione
CID 64901293
3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875106
6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874506

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione (CID 65096559) is 6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione is CCC1(CC)C(=O)NC(C)C(=O)N1CCCS(=O)(=O)CC.
What is the InChIKey of 6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione?
The InChIKey is OWKUPVBWDQNFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-5-14(6-2)13(18)15-11(4)12(17)16(14)9-8-10-21(19,20)7-3/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of 6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione?
6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione has a molecular weight of 318.44 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 65096559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).