3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one

C11H22N2O4S — CID 79594654

IUPAC3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H22N2O4S/c1-4-10-11(14)12-5-6-13(10)18(15,16)8-7-17-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyAAQWPWFQZCUSCE-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds6

About 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one

3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one (PubChem CID 79594654) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one
PubChem CID79594654
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H22N2O4S/c1-4-10-11(14)12-5-6-13(10)18(15,16)8-7-17-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyAAQWPWFQZCUSCE-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one (CID 79594654) is 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)CCOC(C)C.
What is the InChIKey of 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one?
The InChIKey is AAQWPWFQZCUSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-10-11(14)12-5-6-13(10)18(15,16)8-7-17-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one?
3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one has a molecular weight of 278.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-propan-2-yloxyethylsulfonyl)piperazin-2-one is sourced from PubChem (CID 79594654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).