3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one

C10H18N2O4S — CID 63600127

IUPAC3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H18N2O4S/c1-3-8-10(14)11-5-6-12(8)9(13)4-7-17(2,15)16/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyDRHJZRVIAXYQPH-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.84
Rot. Bonds4

About 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one

3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one (PubChem CID 63600127) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
PubChem CID63600127
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H18N2O4S/c1-3-8-10(14)11-5-6-12(8)9(13)4-7-17(2,15)16/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyDRHJZRVIAXYQPH-UHFFFAOYSA-N
XLogP-0.84
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one (CID 63600127) is 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)CCS(C)(=O)=O.
What is the InChIKey of 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one?
The InChIKey is DRHJZRVIAXYQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-3-8-10(14)11-5-6-12(8)9(13)4-7-17(2,15)16/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one?
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one has a molecular weight of 262.33 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one is sourced from PubChem (CID 63600127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).