3-dodecylsulfanylpropanehydrazide

C15H32N2OS — CID 19905629

IUPAC3-dodecylsulfanylpropanehydrazide
SMILESCCCCCCCCCCCCSCCC(=O)NN
InChIInChI=1S/C15H32N2OS/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15(18)17-16/h2-14,16H2,1H3,(H,17,18)
InChIKeyDGTFBFXFOQJAIE-UHFFFAOYSA-N
MW288.50 g/mol
LogP4.02
Rot. Bonds14

About 3-dodecylsulfanylpropanehydrazide

3-dodecylsulfanylpropanehydrazide (PubChem CID 19905629) has the molecular formula C15H32N2OS and a molecular weight of 288.50 g/mol. Its IUPAC name is 3-dodecylsulfanylpropanehydrazide.

Molecular Properties

Compound Name3-dodecylsulfanylpropanehydrazide
PubChem CID19905629
Molecular FormulaC15H32N2OS
Molecular Weight288.50 g/mol
Exact Mass288.22
IUPAC Name3-dodecylsulfanylpropanehydrazide
SMILESCCCCCCCCCCCCSCCC(=O)NN
InChIInChI=1S/C15H32N2OS/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15(18)17-16/h2-14,16H2,1H3,(H,17,18)
InChIKeyDGTFBFXFOQJAIE-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.02
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-dodecylsulfanylpropanehydrazide?
The IUPAC name of 3-dodecylsulfanylpropanehydrazide (CID 19905629) is 3-dodecylsulfanylpropanehydrazide.
What is the SMILES notation for 3-dodecylsulfanylpropanehydrazide?
The canonical SMILES for 3-dodecylsulfanylpropanehydrazide is CCCCCCCCCCCCSCCC(=O)NN.
What is the InChIKey of 3-dodecylsulfanylpropanehydrazide?
The InChIKey is DGTFBFXFOQJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2OS/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15(18)17-16/h2-14,16H2,1H3,(H,17,18).
What are the key properties of 3-dodecylsulfanylpropanehydrazide?
3-dodecylsulfanylpropanehydrazide has a molecular weight of 288.50 g/mol, XLogP of 4.02, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecylsulfanylpropanehydrazide is sourced from PubChem (CID 19905629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).