5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide

C10H21N3O2S2 — CID 59203680

IUPAC5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide
SMILESCCCSSCCNC(=O)CCCC(=O)NN
InChIInChI=1S/C10H21N3O2S2/c1-2-7-16-17-8-6-12-9(14)4-3-5-10(15)13-11/h2-8,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyQQVMLOMMNIWELO-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.05
Rot. Bonds10

About 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide

5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide (PubChem CID 59203680) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide
PubChem CID59203680
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide
SMILESCCCSSCCNC(=O)CCCC(=O)NN
InChIInChI=1S/C10H21N3O2S2/c1-2-7-16-17-8-6-12-9(14)4-3-5-10(15)13-11/h2-8,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyQQVMLOMMNIWELO-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide?
The IUPAC name of 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide (CID 59203680) is 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide.
What is the SMILES notation for 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide?
The canonical SMILES for 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide is CCCSSCCNC(=O)CCCC(=O)NN.
What is the InChIKey of 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide?
The InChIKey is QQVMLOMMNIWELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-2-7-16-17-8-6-12-9(14)4-3-5-10(15)13-11/h2-8,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide?
5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide has a molecular weight of 279.43 g/mol, XLogP of 1.05, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide is sourced from PubChem (CID 59203680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).