4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide

C12H24N6O4S2 — CID 25104329

IUPAC4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide
SMILESNNC(=O)CCC(=O)NCCSSCCNC(=O)CCC(=O)NN
InChIInChI=1S/C12H24N6O4S2/c13-17-11(21)3-1-9(19)15-5-7-23-24-8-6-16-10(20)2-4-12(22)18-14/h1-8,13-14H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeyQJPHJTRLHPVZSR-UHFFFAOYSA-N
MW380.50 g/mol
LogP-1.86
Rot. Bonds13

About 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide

4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide (PubChem CID 25104329) has the molecular formula C12H24N6O4S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide
PubChem CID25104329
Molecular FormulaC12H24N6O4S2
Molecular Weight380.50 g/mol
Exact Mass380.13
IUPAC Name4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide
SMILESNNC(=O)CCC(=O)NCCSSCCNC(=O)CCC(=O)NN
InChIInChI=1S/C12H24N6O4S2/c13-17-11(21)3-1-9(19)15-5-7-23-24-8-6-16-10(20)2-4-12(22)18-14/h1-8,13-14H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeyQJPHJTRLHPVZSR-UHFFFAOYSA-N
XLogP-1.86
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 5-1.86
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide?
The IUPAC name of 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide (CID 25104329) is 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide?
The canonical SMILES for 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide is NNC(=O)CCC(=O)NCCSSCCNC(=O)CCC(=O)NN.
What is the InChIKey of 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide?
The InChIKey is QJPHJTRLHPVZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O4S2/c13-17-11(21)3-1-9(19)15-5-7-23-24-8-6-16-10(20)2-4-12(22)18-14/h1-8,13-14H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22).
What are the key properties of 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide?
4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide has a molecular weight of 380.50 g/mol, XLogP of -1.86, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide is sourced from PubChem (CID 25104329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).