N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide

C10H19N3O3S2 — CID 59203679

IUPACN-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide
SMILESCC(=O)CCSSCCC(=O)NCCC(=O)NN
InChIInChI=1S/C10H19N3O3S2/c1-8(14)3-6-17-18-7-4-9(15)12-5-2-10(16)13-11/h2-7,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyKSRDAKYMZYZULE-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.23
Rot. Bonds10

About N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide

N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide (PubChem CID 59203679) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide
PubChem CID59203679
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC NameN-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide
SMILESCC(=O)CCSSCCC(=O)NCCC(=O)NN
InChIInChI=1S/C10H19N3O3S2/c1-8(14)3-6-17-18-7-4-9(15)12-5-2-10(16)13-11/h2-7,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyKSRDAKYMZYZULE-UHFFFAOYSA-N
XLogP0.23
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide?
The IUPAC name of N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide (CID 59203679) is N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide.
What is the SMILES notation for N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide?
The canonical SMILES for N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide is CC(=O)CCSSCCC(=O)NCCC(=O)NN.
What is the InChIKey of N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide?
The InChIKey is KSRDAKYMZYZULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-8(14)3-6-17-18-7-4-9(15)12-5-2-10(16)13-11/h2-7,11H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide?
N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 0.23, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide is sourced from PubChem (CID 59203679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).