3-ethylsulfonylpropanehydrazide

C5H12N2O3S — CID 23162557

IUPAC3-ethylsulfonylpropanehydrazide
SMILESCCS(=O)(=O)CCC(=O)NN
InChIInChI=1S/C5H12N2O3S/c1-2-11(9,10)4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyVXQNHSOPKWBGNF-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.20
Rot. Bonds4

About 3-ethylsulfonylpropanehydrazide

3-ethylsulfonylpropanehydrazide (PubChem CID 23162557) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-ethylsulfonylpropanehydrazide.

Molecular Properties

Compound Name3-ethylsulfonylpropanehydrazide
PubChem CID23162557
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name3-ethylsulfonylpropanehydrazide
SMILESCCS(=O)(=O)CCC(=O)NN
InChIInChI=1S/C5H12N2O3S/c1-2-11(9,10)4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyVXQNHSOPKWBGNF-UHFFFAOYSA-N
XLogP-1.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethylsulfonylpropanehydrazide 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-ethylsulfonylpropanehydrazide?
The IUPAC name of 3-ethylsulfonylpropanehydrazide (CID 23162557) is 3-ethylsulfonylpropanehydrazide.
What is the SMILES notation for 3-ethylsulfonylpropanehydrazide?
The canonical SMILES for 3-ethylsulfonylpropanehydrazide is CCS(=O)(=O)CCC(=O)NN.
What is the InChIKey of 3-ethylsulfonylpropanehydrazide?
The InChIKey is VXQNHSOPKWBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-2-11(9,10)4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of 3-ethylsulfonylpropanehydrazide?
3-ethylsulfonylpropanehydrazide has a molecular weight of 180.23 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonylpropanehydrazide is sourced from PubChem (CID 23162557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).