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

C14H24N2O4S — CID 64885823

IUPAC3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C2CC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-9(2)8-11-13(17)15-12(10-4-5-10)14(18)16(11)6-7-21(3,19)20/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyYIGAXIXOMUSJGL-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.18
Rot. Bonds6

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

3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione (PubChem CID 64885823) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione
PubChem CID64885823
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C2CC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-9(2)8-11-13(17)15-12(10-4-5-10)14(18)16(11)6-7-21(3,19)20/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyYIGAXIXOMUSJGL-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-6-ethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64884857
3-cyclopropyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64886762
3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885635
6-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64880261
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-1-[2-(4-methylsulfonylphenyl)ethyl]piperazine-2,5-dione
CID 69243206
3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
CID 83168014
3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
CID 64886190
5-methyl-2-(2-methylpropyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83255731
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
(3S,6S,9S,12S,15R,18R,21R)-6,15-dicyclopropyl-1,3,4,10,12,13,21-heptamethyl-9,18-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 126755549
1-but-3-enyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 113466174
3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 116500131

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione (CID 64885823) is 3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione is CC(C)CC1C(=O)NC(C2CC2)C(=O)N1CCS(C)(=O)=O.
What is the InChIKey of 3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
The InChIKey is YIGAXIXOMUSJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-9(2)8-11-13(17)15-12(10-4-5-10)14(18)16(11)6-7-21(3,19)20/h9-12H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione has a molecular weight of 316.42 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).