About ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide
ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide (PubChem CID 143740354) has the molecular formula C15H32N6O4S2
and a molecular weight of 424.59 g/mol. Its IUPAC name is ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide.
Molecular Properties
| Compound Name | ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide |
|---|
| PubChem CID | 143740354 |
|---|
| Molecular Formula | C15H32N6O4S2 |
|---|
| Molecular Weight | 424.59 g/mol |
|---|
| Exact Mass | 424.19 |
|---|
| IUPAC Name | ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide |
|---|
| SMILES | CC.CNNC(=O)CCC(=O)NCCSSCCNC(=O)CCC(=O)NN |
|---|
| InChI | InChI=1S/C13H26N6O4S2.C2H6/c1-15-19-13(23)5-3-11(21)17-7-9-25-24-8-6-16-10(20)2-4-12(22)18-14;1-2/h15H,2-9,14H2,1H3,(H,16,20)(H,17,21)(H,18,22)(H,19,23);1-2H3 |
|---|
| InChIKey | DYADSCARKSRUAI-UHFFFAOYSA-N |
|---|
| XLogP | -0.57 |
|---|
| TPSA | 154.45 Ų |
|---|
| H-Bond Donors | 6 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 14 |
|---|
| Heavy Atoms | 27 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 424.59 |
| LogP ≤ 5 | -0.57 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 8 |
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'} |
|---|
Analyze ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide 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 ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide?
The IUPAC name of ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide (CID 143740354) is ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide.
What is the SMILES notation for ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide?
The canonical SMILES for ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide is CC.CNNC(=O)CCC(=O)NCCSSCCNC(=O)CCC(=O)NN.
What is the InChIKey of ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide?
The InChIKey is DYADSCARKSRUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O4S2.C2H6/c1-15-19-13(23)5-3-11(21)17-7-9-25-24-8-6-16-10(20)2-4-12(22)18-14;1-2/h15H,2-9,14H2,1H3,(H,16,20)(H,17,21)(H,18,22)(H,19,23);1-2H3.
What are the key properties of ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide?
ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide has a molecular weight of 424.59 g/mol, XLogP of -0.57, 14 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide is sourced from PubChem (CID 143740354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).