3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione

C14H24N2O4S — CID 64887166

IUPAC3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C2CC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-4-14(5-2)13(18)15-11(10-6-7-10)12(17)16(14)8-9-21(3,19)20/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyWFBDIGLHBUGXKT-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.33
Rot. Bonds6

About 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione

3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione (PubChem CID 64887166) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
PubChem CID64887166
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C2CC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-4-14(5-2)13(18)15-11(10-6-7-10)12(17)16(14)8-9-21(3,19)20/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyWFBDIGLHBUGXKT-UHFFFAOYSA-N
XLogP0.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione (CID 64887166) is 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione is CCC1(CC)C(=O)NC(C2CC2)C(=O)N1CCS(C)(=O)=O.
What is the InChIKey of 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
The InChIKey is WFBDIGLHBUGXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-14(5-2)13(18)15-11(10-6-7-10)12(17)16(14)8-9-21(3,19)20/h10-11H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione has a molecular weight of 316.42 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6,6-diethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64887166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).