6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione

C14H24N2O4S — CID 65096606

IUPAC6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCS(=O)(=O)CCCN1C(=O)C(C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C14H24N2O4S/c1-4-21(19,20)9-5-8-16-12(17)10(2)15-13(18)14(16,3)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyLBDGVPMDIFQUAA-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.33
Rot. Bonds6

About 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione

6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 65096606) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID65096606
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCS(=O)(=O)CCCN1C(=O)C(C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C14H24N2O4S/c1-4-21(19,20)9-5-8-16-12(17)10(2)15-13(18)14(16,3)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyLBDGVPMDIFQUAA-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

1-(3-ethylsulfonylpropyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 65096557
6-cyclopropyl-3,6-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83168999
6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione
CID 65096559
1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874522
6-cyclopropyl-3,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64874919
6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170196
6-cyclopropyl-3,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902022
3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875106
6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519286
3-butan-2-yl-6-cyclopropyl-1-(3-methoxypropyl)-6-methylpiperazine-2,5-dione
CID 64901198
6-cyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888784
6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874922

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione (CID 65096606) is 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione is CCS(=O)(=O)CCCN1C(=O)C(C)NC(=O)C1(C)C1CC1.
What is the InChIKey of 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is LBDGVPMDIFQUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-21(19,20)9-5-8-16-12(17)10(2)15-13(18)14(16,3)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione?
6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-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 6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 65096606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).