N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide

C12H24N6O4S2 — CID 59364583

IUPACN-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide
SMILESNNC(=O)CNC(=O)CCCSSCCCC(=O)NCC(=O)NN
InChIInChI=1S/C12H24N6O4S2/c13-17-11(21)7-15-9(19)3-1-5-23-24-6-2-4-10(20)16-8-12(22)18-14/h1-8,13-14H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeyFZIIRMDLQVXCAK-UHFFFAOYSA-N
MW380.50 g/mol
LogP-1.86
Rot. Bonds13

About N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide

N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide (PubChem CID 59364583) has the molecular formula C12H24N6O4S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide
PubChem CID59364583
Molecular FormulaC12H24N6O4S2
Molecular Weight380.50 g/mol
Exact Mass380.13
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide
SMILESNNC(=O)CNC(=O)CCCSSCCCC(=O)NCC(=O)NN
InChIInChI=1S/C12H24N6O4S2/c13-17-11(21)7-15-9(19)3-1-5-23-24-6-2-4-10(20)16-8-12(22)18-14/h1-8,13-14H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeyFZIIRMDLQVXCAK-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'}

Analyze N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

2-Acetamido-4-mercaptobutanoic acid hydrazide
CID 2762577
DL-Methionine, 2-(1-methylethyl)hydrazide
CID 298113
N-(1-hydrazinyl-1-oxo-4-sulfanylidenebutan-2-yl)acetamide
CID 19107252
N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide
CID 21140434
4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide
CID 25104329
5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
CID 25104331
N-(2-hydrazinyl-2-oxoethyl)-3-[[3-[(2-hydrazinyl-2-oxoethyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104333
N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104334
N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104447
N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104448
3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide
CID 25196764
N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)-2-sulfanylacetamide
CID 44473344

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide (CID 59364583) is N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide is NNC(=O)CNC(=O)CCCSSCCCC(=O)NCC(=O)NN.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide?
The InChIKey is FZIIRMDLQVXCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O4S2/c13-17-11(21)7-15-9(19)3-1-5-23-24-6-2-4-10(20)16-8-12(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 N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide?
N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide 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 N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide is sourced from PubChem (CID 59364583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).