2-ethylsulfonylacetohydrazide

C4H10N2O3S — CID 130710740

IUPAC2-ethylsulfonylacetohydrazide
SMILESCCS(=O)(=O)CC(=O)NN
InChIInChI=1S/C4H10N2O3S/c1-2-10(8,9)3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyZGVHQZDLKYIKAL-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.59
Rot. Bonds3

About 2-ethylsulfonylacetohydrazide

2-ethylsulfonylacetohydrazide (PubChem CID 130710740) has the molecular formula C4H10N2O3S and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-ethylsulfonylacetohydrazide.

Molecular Properties

Compound Name2-ethylsulfonylacetohydrazide
PubChem CID130710740
Molecular FormulaC4H10N2O3S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name2-ethylsulfonylacetohydrazide
SMILESCCS(=O)(=O)CC(=O)NN
InChIInChI=1S/C4H10N2O3S/c1-2-10(8,9)3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyZGVHQZDLKYIKAL-UHFFFAOYSA-N
XLogP-1.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.59
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 2-ethylsulfonylacetohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-Hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide
CID 2817722
2-(Ethylsulfanyl)acetohydrazide
CID 1712813
Bis(hydrazinocarbonylmethyl) sulfoxide
CID 129769119
2-Methanesulfonylacetohydrazide
CID 20397392
2-(2-Hydrazinyl-2-oxoethyl)sulfanylacetamide
CID 21196855
3-Methylsulfinylpropanehydrazide
CID 21259965
2-Propylsulfonylacetohydrazide
CID 23162551
3-Ethylsulfinylpropanehydrazide
CID 23162554
4-Methylsulfonylbutanehydrazide
CID 23162555
2-Propylsulfinylacetohydrazide
CID 23162556
3-Ethylsulfonylpropanehydrazide
CID 23162557
3-Methylsulfonylpropanehydrazide
CID 43168565

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylacetohydrazide?
The IUPAC name of 2-ethylsulfonylacetohydrazide (CID 130710740) is 2-ethylsulfonylacetohydrazide.
What is the SMILES notation for 2-ethylsulfonylacetohydrazide?
The canonical SMILES for 2-ethylsulfonylacetohydrazide is CCS(=O)(=O)CC(=O)NN.
What is the InChIKey of 2-ethylsulfonylacetohydrazide?
The InChIKey is ZGVHQZDLKYIKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S/c1-2-10(8,9)3-4(7)6-5/h2-3,5H2,1H3,(H,6,7).
What are the key properties of 2-ethylsulfonylacetohydrazide?
2-ethylsulfonylacetohydrazide has a molecular weight of 166.20 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylacetohydrazide is sourced from PubChem (CID 130710740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).