3-methylsulfonylpropanehydrazide

C4H10N2O3S — CID 43168565

IUPAC3-methylsulfonylpropanehydrazide
SMILESCS(=O)(=O)CCC(=O)NN
InChIInChI=1S/C4H10N2O3S/c1-10(8,9)3-2-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyHOEFAGSAHPIQHG-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.59
Rot. Bonds3

About 3-methylsulfonylpropanehydrazide

3-methylsulfonylpropanehydrazide (PubChem CID 43168565) has the molecular formula C4H10N2O3S and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-methylsulfonylpropanehydrazide.

Molecular Properties

Compound Name3-methylsulfonylpropanehydrazide
PubChem CID43168565
Molecular FormulaC4H10N2O3S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name3-methylsulfonylpropanehydrazide
SMILESCS(=O)(=O)CCC(=O)NN
InChIInChI=1S/C4H10N2O3S/c1-10(8,9)3-2-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyHOEFAGSAHPIQHG-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpropanehydrazide?
The IUPAC name of 3-methylsulfonylpropanehydrazide (CID 43168565) is 3-methylsulfonylpropanehydrazide.
What is the SMILES notation for 3-methylsulfonylpropanehydrazide?
The canonical SMILES for 3-methylsulfonylpropanehydrazide is CS(=O)(=O)CCC(=O)NN.
What is the InChIKey of 3-methylsulfonylpropanehydrazide?
The InChIKey is HOEFAGSAHPIQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S/c1-10(8,9)3-2-4(7)6-5/h2-3,5H2,1H3,(H,6,7).
What are the key properties of 3-methylsulfonylpropanehydrazide?
3-methylsulfonylpropanehydrazide 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 3-methylsulfonylpropanehydrazide is sourced from PubChem (CID 43168565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).