3-methylsulfinylpropanehydrazide

C4H10N2O2S — CID 21259965

IUPAC3-methylsulfinylpropanehydrazide
SMILESCS(=O)CCC(=O)NN
InChIInChI=1S/C4H10N2O2S/c1-9(8)3-2-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyOITBAOLWVBMLQI-UHFFFAOYSA-N
MW150.20 g/mol
LogP-1.26
Rot. Bonds3

About 3-methylsulfinylpropanehydrazide

3-methylsulfinylpropanehydrazide (PubChem CID 21259965) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is 3-methylsulfinylpropanehydrazide.

Molecular Properties

Compound Name3-methylsulfinylpropanehydrazide
PubChem CID21259965
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name3-methylsulfinylpropanehydrazide
SMILESCS(=O)CCC(=O)NN
InChIInChI=1S/C4H10N2O2S/c1-9(8)3-2-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyOITBAOLWVBMLQI-UHFFFAOYSA-N
XLogP-1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-1.26
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-methylsulfinylpropanehydrazide?
The IUPAC name of 3-methylsulfinylpropanehydrazide (CID 21259965) is 3-methylsulfinylpropanehydrazide.
What is the SMILES notation for 3-methylsulfinylpropanehydrazide?
The canonical SMILES for 3-methylsulfinylpropanehydrazide is CS(=O)CCC(=O)NN.
What is the InChIKey of 3-methylsulfinylpropanehydrazide?
The InChIKey is OITBAOLWVBMLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-9(8)3-2-4(7)6-5/h2-3,5H2,1H3,(H,6,7).
What are the key properties of 3-methylsulfinylpropanehydrazide?
3-methylsulfinylpropanehydrazide has a molecular weight of 150.20 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylpropanehydrazide is sourced from PubChem (CID 21259965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).