3-octylsulfanylpropanehydrazide

C11H24N2OS — CID 19905644

IUPAC3-octylsulfanylpropanehydrazide
SMILESCCCCCCCCSCCC(=O)NN
InChIInChI=1S/C11H24N2OS/c1-2-3-4-5-6-7-9-15-10-8-11(14)13-12/h2-10,12H2,1H3,(H,13,14)
InChIKeyWAEDVAWROJZMLL-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.46
Rot. Bonds10

About 3-octylsulfanylpropanehydrazide

3-octylsulfanylpropanehydrazide (PubChem CID 19905644) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-octylsulfanylpropanehydrazide.

Molecular Properties

Compound Name3-octylsulfanylpropanehydrazide
PubChem CID19905644
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-octylsulfanylpropanehydrazide
SMILESCCCCCCCCSCCC(=O)NN
InChIInChI=1S/C11H24N2OS/c1-2-3-4-5-6-7-9-15-10-8-11(14)13-12/h2-10,12H2,1H3,(H,13,14)
InChIKeyWAEDVAWROJZMLL-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-octylsulfanylpropanehydrazide?
The IUPAC name of 3-octylsulfanylpropanehydrazide (CID 19905644) is 3-octylsulfanylpropanehydrazide.
What is the SMILES notation for 3-octylsulfanylpropanehydrazide?
The canonical SMILES for 3-octylsulfanylpropanehydrazide is CCCCCCCCSCCC(=O)NN.
What is the InChIKey of 3-octylsulfanylpropanehydrazide?
The InChIKey is WAEDVAWROJZMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-2-3-4-5-6-7-9-15-10-8-11(14)13-12/h2-10,12H2,1H3,(H,13,14).
What are the key properties of 3-octylsulfanylpropanehydrazide?
3-octylsulfanylpropanehydrazide has a molecular weight of 232.39 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octylsulfanylpropanehydrazide is sourced from PubChem (CID 19905644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).