5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide

C14H28N6O4S2 — CID 25104331

IUPAC5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
SMILESNNC(=O)CCCC(=O)NCCSSCCNC(=O)CCCC(=O)NN
InChIInChI=1S/C14H28N6O4S2/c15-19-13(23)5-1-3-11(21)17-7-9-25-26-10-8-18-12(22)4-2-6-14(24)20-16/h1-10,15-16H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24)
InChIKeyGIGRVSOEPAAOQQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP-1.08
Rot. Bonds15

About 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide

5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide (PubChem CID 25104331) has the molecular formula C14H28N6O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide.

Molecular Properties

Compound Name5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
PubChem CID25104331
Molecular FormulaC14H28N6O4S2
Molecular Weight408.55 g/mol
Exact Mass408.16
IUPAC Name5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
SMILESNNC(=O)CCCC(=O)NCCSSCCNC(=O)CCCC(=O)NN
InChIInChI=1S/C14H28N6O4S2/c15-19-13(23)5-1-3-11(21)17-7-9-25-26-10-8-18-12(22)4-2-6-14(24)20-16/h1-10,15-16H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24)
InChIKeyGIGRVSOEPAAOQQ-UHFFFAOYSA-N
XLogP-1.08
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 5-1.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide 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 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide?
The IUPAC name of 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide (CID 25104331) is 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide.
What is the SMILES notation for 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide?
The canonical SMILES for 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide is NNC(=O)CCCC(=O)NCCSSCCNC(=O)CCCC(=O)NN.
What is the InChIKey of 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide?
The InChIKey is GIGRVSOEPAAOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O4S2/c15-19-13(23)5-1-3-11(21)17-7-9-25-26-10-8-18-12(22)4-2-6-14(24)20-16/h1-10,15-16H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24).
What are the key properties of 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide?
5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide has a molecular weight of 408.55 g/mol, XLogP of -1.08, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide is sourced from PubChem (CID 25104331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).