4-acetylpiperazine-1-sulfonamide

C6H13N3O3S — CID 60728422

IUPAC4-acetylpiperazine-1-sulfonamide
SMILESCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C6H13N3O3S/c1-6(10)8-2-4-9(5-3-8)13(7,11)12/h2-5H2,1H3,(H2,7,11,12)
InChIKeyWHSSQEKAYHWNHJ-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.65
Rot. Bonds1

About 4-acetylpiperazine-1-sulfonamide

4-acetylpiperazine-1-sulfonamide (PubChem CID 60728422) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-acetylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-acetylpiperazine-1-sulfonamide
PubChem CID60728422
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name4-acetylpiperazine-1-sulfonamide
SMILESCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C6H13N3O3S/c1-6(10)8-2-4-9(5-3-8)13(7,11)12/h2-5H2,1H3,(H2,7,11,12)
InChIKeyWHSSQEKAYHWNHJ-UHFFFAOYSA-N
XLogP-1.65
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetylpiperazine-1-sulfonamide 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 4-acetylpiperazine-1-sulfonamide?
The IUPAC name of 4-acetylpiperazine-1-sulfonamide (CID 60728422) is 4-acetylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-acetylpiperazine-1-sulfonamide?
The canonical SMILES for 4-acetylpiperazine-1-sulfonamide is CC(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-acetylpiperazine-1-sulfonamide?
The InChIKey is WHSSQEKAYHWNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-6(10)8-2-4-9(5-3-8)13(7,11)12/h2-5H2,1H3,(H2,7,11,12).
What are the key properties of 4-acetylpiperazine-1-sulfonamide?
4-acetylpiperazine-1-sulfonamide has a molecular weight of 207.25 g/mol, XLogP of -1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylpiperazine-1-sulfonamide is sourced from PubChem (CID 60728422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).