2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide

C8H18N4O2S2 — CID 18915483

IUPAC2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide
SMILESCC(SCCSC(C)C(=O)NN)C(=O)NN
InChIInChI=1S/C8H18N4O2S2/c1-5(7(13)11-9)15-3-4-16-6(2)8(14)12-10/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyQHHGTQFAITVGHM-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.79
Rot. Bonds7

About 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide

2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide (PubChem CID 18915483) has the molecular formula C8H18N4O2S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide.

Molecular Properties

Compound Name2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide
PubChem CID18915483
Molecular FormulaC8H18N4O2S2
Molecular Weight266.39 g/mol
Exact Mass266.09
IUPAC Name2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide
SMILESCC(SCCSC(C)C(=O)NN)C(=O)NN
InChIInChI=1S/C8H18N4O2S2/c1-5(7(13)11-9)15-3-4-16-6(2)8(14)12-10/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyQHHGTQFAITVGHM-UHFFFAOYSA-N
XLogP-0.79
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
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'}

Analyze 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide?
The IUPAC name of 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide (CID 18915483) is 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide.
What is the SMILES notation for 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide?
The canonical SMILES for 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide is CC(SCCSC(C)C(=O)NN)C(=O)NN.
What is the InChIKey of 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide?
The InChIKey is QHHGTQFAITVGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S2/c1-5(7(13)11-9)15-3-4-16-6(2)8(14)12-10/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide?
2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide has a molecular weight of 266.39 g/mol, XLogP of -0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydrazinyl-1-oxopropan-2-yl)sulfanylethylsulfanyl]propanehydrazide is sourced from PubChem (CID 18915483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).