6-dodecylsulfanylhexanehydrazide

C18H38N2OS — CID 21259983

IUPAC6-dodecylsulfanylhexanehydrazide
SMILESCCCCCCCCCCCCSCCCCCC(=O)NN
InChIInChI=1S/C18H38N2OS/c1-2-3-4-5-6-7-8-9-10-13-16-22-17-14-11-12-15-18(21)20-19/h2-17,19H2,1H3,(H,20,21)
InChIKeyQRNMQSVXSSCPBY-UHFFFAOYSA-N
MW330.58 g/mol
LogP5.19
Rot. Bonds17

About 6-dodecylsulfanylhexanehydrazide

6-dodecylsulfanylhexanehydrazide (PubChem CID 21259983) has the molecular formula C18H38N2OS and a molecular weight of 330.58 g/mol. Its IUPAC name is 6-dodecylsulfanylhexanehydrazide.

Molecular Properties

Compound Name6-dodecylsulfanylhexanehydrazide
PubChem CID21259983
Molecular FormulaC18H38N2OS
Molecular Weight330.58 g/mol
Exact Mass330.27
IUPAC Name6-dodecylsulfanylhexanehydrazide
SMILESCCCCCCCCCCCCSCCCCCC(=O)NN
InChIInChI=1S/C18H38N2OS/c1-2-3-4-5-6-7-8-9-10-13-16-22-17-14-11-12-15-18(21)20-19/h2-17,19H2,1H3,(H,20,21)
InChIKeyQRNMQSVXSSCPBY-UHFFFAOYSA-N
XLogP5.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.58
LogP ≤ 55.19
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 6-dodecylsulfanylhexanehydrazide?
The IUPAC name of 6-dodecylsulfanylhexanehydrazide (CID 21259983) is 6-dodecylsulfanylhexanehydrazide.
What is the SMILES notation for 6-dodecylsulfanylhexanehydrazide?
The canonical SMILES for 6-dodecylsulfanylhexanehydrazide is CCCCCCCCCCCCSCCCCCC(=O)NN.
What is the InChIKey of 6-dodecylsulfanylhexanehydrazide?
The InChIKey is QRNMQSVXSSCPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2OS/c1-2-3-4-5-6-7-8-9-10-13-16-22-17-14-11-12-15-18(21)20-19/h2-17,19H2,1H3,(H,20,21).
What are the key properties of 6-dodecylsulfanylhexanehydrazide?
6-dodecylsulfanylhexanehydrazide has a molecular weight of 330.58 g/mol, XLogP of 5.19, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecylsulfanylhexanehydrazide is sourced from PubChem (CID 21259983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).