2-(4-ethylsulfonylpiperazin-1-yl)acetamide

C8H17N3O3S — CID 82083384

IUPAC2-(4-ethylsulfonylpiperazin-1-yl)acetamide
SMILESCCS(=O)(=O)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C8H17N3O3S/c1-2-15(13,14)11-5-3-10(4-6-11)7-8(9)12/h2-7H2,1H3,(H2,9,12)
InChIKeyCMCCKKVBFRQXHC-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.56
Rot. Bonds4

About 2-(4-ethylsulfonylpiperazin-1-yl)acetamide

2-(4-ethylsulfonylpiperazin-1-yl)acetamide (PubChem CID 82083384) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(4-ethylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylpiperazin-1-yl)acetamide
PubChem CID82083384
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-(4-ethylsulfonylpiperazin-1-yl)acetamide
SMILESCCS(=O)(=O)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C8H17N3O3S/c1-2-15(13,14)11-5-3-10(4-6-11)7-8(9)12/h2-7H2,1H3,(H2,9,12)
InChIKeyCMCCKKVBFRQXHC-UHFFFAOYSA-N
XLogP-1.56
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylsulfonylpiperazin-1-yl)acetamide 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 2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)acetamide (CID 82083384) is 2-(4-ethylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylpiperazin-1-yl)acetamide is CCS(=O)(=O)N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is CMCCKKVBFRQXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-2-15(13,14)11-5-3-10(4-6-11)7-8(9)12/h2-7H2,1H3,(H2,9,12).
What are the key properties of 2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
2-(4-ethylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 235.31 g/mol, XLogP of -1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 82083384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).