About N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide
N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide (PubChem CID 25104334) has the molecular formula C12H24N6O4S2
and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide.
Molecular Properties
| Compound Name | N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide |
|---|
| PubChem CID | 25104334 |
|---|
| Molecular Formula | C12H24N6O4S2 |
|---|
| Molecular Weight | 380.50 g/mol |
|---|
| Exact Mass | 380.13 |
|---|
| IUPAC Name | N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide |
|---|
| SMILES | CC(NC(=O)CCSSCCC(=O)NC(C)C(=O)NN)C(=O)NN |
|---|
| InChI | InChI=1S/C12H24N6O4S2/c1-7(11(21)17-13)15-9(19)3-5-23-24-6-4-10(20)16-8(2)12(22)18-14/h7-8H,3-6,13-14H2,1-2H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22) |
|---|
| InChIKey | TVNPKSUGQHWEMR-UHFFFAOYSA-N |
|---|
| XLogP | -1.86 |
|---|
| TPSA | 168.44 Ų |
|---|
| H-Bond Donors | 6 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 24 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 380.50 |
| LogP ≤ 5 | -1.86 |
| 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 N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide 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 N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide?
The IUPAC name of N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide (CID 25104334) is N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide.
What is the SMILES notation for N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide?
The canonical SMILES for N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide is CC(NC(=O)CCSSCCC(=O)NC(C)C(=O)NN)C(=O)NN.
What is the InChIKey of N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide?
The InChIKey is TVNPKSUGQHWEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O4S2/c1-7(11(21)17-13)15-9(19)3-5-23-24-6-4-10(20)16-8(2)12(22)18-14/h7-8H,3-6,13-14H2,1-2H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22).
What are the key properties of N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide?
N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide has a molecular weight of 380.50 g/mol, XLogP of -1.86, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide is sourced from PubChem (CID 25104334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).