3-hexylsulfanyl-N'-phenylpropanehydrazide

C15H24N2OS — CID 3079926

IUPAC3-hexylsulfanyl-N'-phenylpropanehydrazide
SMILESCCCCCCSCCC(=O)NNc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-2-3-4-8-12-19-13-11-15(18)17-16-14-9-6-5-7-10-14/h5-7,9-10,16H,2-4,8,11-13H2,1H3,(H,17,18)
InChIKeyPPYSQTZKHMAMFK-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.83
Rot. Bonds10

About 3-hexylsulfanyl-N'-phenylpropanehydrazide

3-hexylsulfanyl-N'-phenylpropanehydrazide (PubChem CID 3079926) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-hexylsulfanyl-N'-phenylpropanehydrazide.

Molecular Properties

Compound Name3-hexylsulfanyl-N'-phenylpropanehydrazide
PubChem CID3079926
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-hexylsulfanyl-N'-phenylpropanehydrazide
SMILESCCCCCCSCCC(=O)NNc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-2-3-4-8-12-19-13-11-15(18)17-16-14-9-6-5-7-10-14/h5-7,9-10,16H,2-4,8,11-13H2,1H3,(H,17,18)
InChIKeyPPYSQTZKHMAMFK-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hexylsulfanyl-N'-phenylpropanehydrazide?
The IUPAC name of 3-hexylsulfanyl-N'-phenylpropanehydrazide (CID 3079926) is 3-hexylsulfanyl-N'-phenylpropanehydrazide.
What is the SMILES notation for 3-hexylsulfanyl-N'-phenylpropanehydrazide?
The canonical SMILES for 3-hexylsulfanyl-N'-phenylpropanehydrazide is CCCCCCSCCC(=O)NNc1ccccc1.
What is the InChIKey of 3-hexylsulfanyl-N'-phenylpropanehydrazide?
The InChIKey is PPYSQTZKHMAMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-3-4-8-12-19-13-11-15(18)17-16-14-9-6-5-7-10-14/h5-7,9-10,16H,2-4,8,11-13H2,1H3,(H,17,18).
What are the key properties of 3-hexylsulfanyl-N'-phenylpropanehydrazide?
3-hexylsulfanyl-N'-phenylpropanehydrazide has a molecular weight of 280.44 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylsulfanyl-N'-phenylpropanehydrazide is sourced from PubChem (CID 3079926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).