3-decylsulfanylpropanehydrazide

C13H28N2OS — CID 19905636

IUPAC3-decylsulfanylpropanehydrazide
SMILESCCCCCCCCCCSCCC(=O)NN
InChIInChI=1S/C13H28N2OS/c1-2-3-4-5-6-7-8-9-11-17-12-10-13(16)15-14/h2-12,14H2,1H3,(H,15,16)
InChIKeySVWILYCLPQBYMF-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.24
Rot. Bonds12

About 3-decylsulfanylpropanehydrazide

3-decylsulfanylpropanehydrazide (PubChem CID 19905636) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 3-decylsulfanylpropanehydrazide.

Molecular Properties

Compound Name3-decylsulfanylpropanehydrazide
PubChem CID19905636
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name3-decylsulfanylpropanehydrazide
SMILESCCCCCCCCCCSCCC(=O)NN
InChIInChI=1S/C13H28N2OS/c1-2-3-4-5-6-7-8-9-11-17-12-10-13(16)15-14/h2-12,14H2,1H3,(H,15,16)
InChIKeySVWILYCLPQBYMF-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.24
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-decylsulfanylpropanehydrazide?
The IUPAC name of 3-decylsulfanylpropanehydrazide (CID 19905636) is 3-decylsulfanylpropanehydrazide.
What is the SMILES notation for 3-decylsulfanylpropanehydrazide?
The canonical SMILES for 3-decylsulfanylpropanehydrazide is CCCCCCCCCCSCCC(=O)NN.
What is the InChIKey of 3-decylsulfanylpropanehydrazide?
The InChIKey is SVWILYCLPQBYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-2-3-4-5-6-7-8-9-11-17-12-10-13(16)15-14/h2-12,14H2,1H3,(H,15,16).
What are the key properties of 3-decylsulfanylpropanehydrazide?
3-decylsulfanylpropanehydrazide has a molecular weight of 260.45 g/mol, XLogP of 3.24, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decylsulfanylpropanehydrazide is sourced from PubChem (CID 19905636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).