11-octadecylsulfanylundecanehydrazide

C29H60N2OS — CID 18183822

IUPAC11-octadecylsulfanylundecanehydrazide
SMILESCCCCCCCCCCCCCCCCCCSCCCCCCCCCCC(=O)NN
InChIInChI=1S/C29H60N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27-33-28-25-22-19-16-14-17-20-23-26-29(32)31-30/h2-28,30H2,1H3,(H,31,32)
InChIKeyPHUPMQACYBAJES-UHFFFAOYSA-N
MW484.88 g/mol
LogP9.48
Rot. Bonds28

About 11-octadecylsulfanylundecanehydrazide

11-octadecylsulfanylundecanehydrazide (PubChem CID 18183822) has the molecular formula C29H60N2OS and a molecular weight of 484.88 g/mol. Its IUPAC name is 11-octadecylsulfanylundecanehydrazide.

Molecular Properties

Compound Name11-octadecylsulfanylundecanehydrazide
PubChem CID18183822
Molecular FormulaC29H60N2OS
Molecular Weight484.88 g/mol
Exact Mass484.44
IUPAC Name11-octadecylsulfanylundecanehydrazide
SMILESCCCCCCCCCCCCCCCCCCSCCCCCCCCCCC(=O)NN
InChIInChI=1S/C29H60N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27-33-28-25-22-19-16-14-17-20-23-26-29(32)31-30/h2-28,30H2,1H3,(H,31,32)
InChIKeyPHUPMQACYBAJES-UHFFFAOYSA-N
XLogP9.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.88
LogP ≤ 59.48
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-octadecylsulfanylundecanehydrazide?
The IUPAC name of 11-octadecylsulfanylundecanehydrazide (CID 18183822) is 11-octadecylsulfanylundecanehydrazide.
What is the SMILES notation for 11-octadecylsulfanylundecanehydrazide?
The canonical SMILES for 11-octadecylsulfanylundecanehydrazide is CCCCCCCCCCCCCCCCCCSCCCCCCCCCCC(=O)NN.
What is the InChIKey of 11-octadecylsulfanylundecanehydrazide?
The InChIKey is PHUPMQACYBAJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27-33-28-25-22-19-16-14-17-20-23-26-29(32)31-30/h2-28,30H2,1H3,(H,31,32).
What are the key properties of 11-octadecylsulfanylundecanehydrazide?
11-octadecylsulfanylundecanehydrazide has a molecular weight of 484.88 g/mol, XLogP of 9.48, 28 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-octadecylsulfanylundecanehydrazide is sourced from PubChem (CID 18183822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).