3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione

C14H24N2O4S — CID 106733614

IUPAC3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1CCS(=O)(=O)CC
InChIInChI=1S/C14H24N2O4S/c1-4-11-12(17)15-14(3,10-6-7-10)13(18)16(11)8-9-21(19,20)5-2/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyQHWGGXIZEXICPV-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.33
Rot. Bonds6

About 3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione (PubChem CID 106733614) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
PubChem CID106733614
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1CCS(=O)(=O)CC
InChIInChI=1S/C14H24N2O4S/c1-4-11-12(17)15-14(3,10-6-7-10)13(18)16(11)8-9-21(19,20)5-2/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyQHWGGXIZEXICPV-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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Related Compounds

3-cyclopropyl-1-(2-ethoxyethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64887283
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332
3-cyclopropyl-6-ethyl-3-methyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586911
1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 106171898
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
CID 65096750
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620
3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971066
3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
CID 64970923
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 64957705

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione (CID 106733614) is 3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1CCS(=O)(=O)CC.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione?
The InChIKey is QHWGGXIZEXICPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-11-12(17)15-14(3,10-6-7-10)13(18)16(11)8-9-21(19,20)5-2/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-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-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 106733614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).