3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide

C6H14N4O2S2 — CID 521306

IUPAC3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide
SMILESNNC(=O)CCSSCCC(=O)NN
InChIInChI=1S/C6H14N4O2S2/c7-9-5(11)1-3-13-14-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
InChIKeyGYQOUZKNOIHPOP-UHFFFAOYSA-N
MW238.34 g/mol
LogP-0.87
Rot. Bonds7

About 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide

3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide (PubChem CID 521306) has the molecular formula C6H14N4O2S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide.

Molecular Properties

Compound Name3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide
PubChem CID521306
Molecular FormulaC6H14N4O2S2
Molecular Weight238.34 g/mol
Exact Mass238.06
IUPAC Name3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide
SMILESNNC(=O)CCSSCCC(=O)NN
InChIInChI=1S/C6H14N4O2S2/c7-9-5(11)1-3-13-14-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
InChIKeyGYQOUZKNOIHPOP-UHFFFAOYSA-N
XLogP-0.87
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide?
The IUPAC name of 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide (CID 521306) is 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide.
What is the SMILES notation for 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide?
The canonical SMILES for 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide is NNC(=O)CCSSCCC(=O)NN.
What is the InChIKey of 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide?
The InChIKey is GYQOUZKNOIHPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2S2/c7-9-5(11)1-3-13-14-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12).
What are the key properties of 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide?
3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide has a molecular weight of 238.34 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazide is sourced from PubChem (CID 521306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).