3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide

C8H18N4O2S2 — CID 18915478

IUPAC3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
SMILESNNC(=O)CCSCCSCCC(=O)NN
InChIInChI=1S/C8H18N4O2S2/c9-11-7(13)1-3-15-5-6-16-4-2-8(14)12-10/h1-6,9-10H2,(H,11,13)(H,12,14)
InChIKeyAXVQESVEOPEGSI-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.79
Rot. Bonds9

About 3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide

3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide (PubChem CID 18915478) has the molecular formula C8H18N4O2S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide.

Molecular Properties

Compound Name3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
PubChem CID18915478
Molecular FormulaC8H18N4O2S2
Molecular Weight266.39 g/mol
Exact Mass266.09
IUPAC Name3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
SMILESNNC(=O)CCSCCSCCC(=O)NN
InChIInChI=1S/C8H18N4O2S2/c9-11-7(13)1-3-15-5-6-16-4-2-8(14)12-10/h1-6,9-10H2,(H,11,13)(H,12,14)
InChIKeyAXVQESVEOPEGSI-UHFFFAOYSA-N
XLogP-0.79
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.79
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': '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-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide?
The IUPAC name of 3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide (CID 18915478) is 3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide.
What is the SMILES notation for 3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide?
The canonical SMILES for 3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide is NNC(=O)CCSCCSCCC(=O)NN.
What is the InChIKey of 3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide?
The InChIKey is AXVQESVEOPEGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S2/c9-11-7(13)1-3-15-5-6-16-4-2-8(14)12-10/h1-6,9-10H2,(H,11,13)(H,12,14).
What are the key properties of 3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide?
3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide has a molecular weight of 266.39 g/mol, XLogP of -0.79, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide is sourced from PubChem (CID 18915478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).