6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione

C13H22N2O4S — CID 64903765

IUPAC6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C2CC2)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C13H22N2O4S/c1-3-10-13(17)15(7-4-8-20(2,18)19)11(9-5-6-9)12(16)14-10/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyMKHTZUPWBXCOSQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.06
Rot. Bonds6

About 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione

6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione (PubChem CID 64903765) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
PubChem CID64903765
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C2CC2)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C13H22N2O4S/c1-3-10-13(17)15(7-4-8-20(2,18)19)11(9-5-6-9)12(16)14-10/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyMKHTZUPWBXCOSQ-UHFFFAOYSA-N
XLogP-0.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
CID 64902231
6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64901847
6-cyclopropyl-3-ethyl-1-methylpiperazine-2,5-dione
CID 64903767
5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247899
1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 114013981
5-ethyl-2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83244799
6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione
CID 64901093
6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
CID 114532475
2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
CID 83245289
2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83248374
6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 113474625

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione (CID 64903765) is 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione is CCC1NC(=O)C(C2CC2)N(CCCS(C)(=O)=O)C1=O.
What is the InChIKey of 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione?
The InChIKey is MKHTZUPWBXCOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-3-10-13(17)15(7-4-8-20(2,18)19)11(9-5-6-9)12(16)14-10/h9-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione?
6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione has a molecular weight of 302.40 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64903765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).