3-ethylsulfinylpropanehydrazide

C5H12N2O2S — CID 23162554

IUPAC3-ethylsulfinylpropanehydrazide
SMILESCCS(=O)CCC(=O)NN
InChIInChI=1S/C5H12N2O2S/c1-2-10(9)4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyQTUMHTFLWUWEBK-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.87
Rot. Bonds4

About 3-ethylsulfinylpropanehydrazide

3-ethylsulfinylpropanehydrazide (PubChem CID 23162554) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-ethylsulfinylpropanehydrazide.

Molecular Properties

Compound Name3-ethylsulfinylpropanehydrazide
PubChem CID23162554
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name3-ethylsulfinylpropanehydrazide
SMILESCCS(=O)CCC(=O)NN
InChIInChI=1S/C5H12N2O2S/c1-2-10(9)4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyQTUMHTFLWUWEBK-UHFFFAOYSA-N
XLogP-0.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinylpropanehydrazide?
The IUPAC name of 3-ethylsulfinylpropanehydrazide (CID 23162554) is 3-ethylsulfinylpropanehydrazide.
What is the SMILES notation for 3-ethylsulfinylpropanehydrazide?
The canonical SMILES for 3-ethylsulfinylpropanehydrazide is CCS(=O)CCC(=O)NN.
What is the InChIKey of 3-ethylsulfinylpropanehydrazide?
The InChIKey is QTUMHTFLWUWEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-10(9)4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of 3-ethylsulfinylpropanehydrazide?
3-ethylsulfinylpropanehydrazide has a molecular weight of 164.23 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinylpropanehydrazide is sourced from PubChem (CID 23162554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).