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

C16H34N6O4S2 — CID 158290479

IUPAC5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide
SMILESCCCSSCCNC(=O)CCCC(=O)NN.CNC(=O)CCCC(=O)NN
InChIInChI=1S/C10H21N3O2S2.C6H13N3O2/c1-2-7-16-17-8-6-12-9(14)4-3-5-10(15)13-11;1-8-5(10)3-2-4-6(11)9-7/h2-8,11H2,1H3,(H,12,14)(H,13,15);2-4,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyGLHDMORHAFBTNR-UHFFFAOYSA-N
MW438.62 g/mol
LogP-0.05
Rot. Bonds14

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

5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide (PubChem CID 158290479) has the molecular formula C16H34N6O4S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide
PubChem CID158290479
Molecular FormulaC16H34N6O4S2
Molecular Weight438.62 g/mol
Exact Mass438.21
IUPAC Name5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide
SMILESCCCSSCCNC(=O)CCCC(=O)NN.CNC(=O)CCCC(=O)NN
InChIInChI=1S/C10H21N3O2S2.C6H13N3O2/c1-2-7-16-17-8-6-12-9(14)4-3-5-10(15)13-11;1-8-5(10)3-2-4-6(11)9-7/h2-8,11H2,1H3,(H,12,14)(H,13,15);2-4,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyGLHDMORHAFBTNR-UHFFFAOYSA-N
XLogP-0.05
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 5-0.05
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 5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide?
The IUPAC name of 5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide (CID 158290479) is 5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide.
What is the SMILES notation for 5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide?
The canonical SMILES for 5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide is CCCSSCCNC(=O)CCCC(=O)NN.CNC(=O)CCCC(=O)NN.
What is the InChIKey of 5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide?
The InChIKey is GLHDMORHAFBTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2.C6H13N3O2/c1-2-7-16-17-8-6-12-9(14)4-3-5-10(15)13-11;1-8-5(10)3-2-4-6(11)9-7/h2-8,11H2,1H3,(H,12,14)(H,13,15);2-4,7H2,1H3,(H,8,10)(H,9,11).
What are the key properties of 5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide?
5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide has a molecular weight of 438.62 g/mol, XLogP of -0.05, 14 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide is sourced from PubChem (CID 158290479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).