6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide

C16H32N6O4S2 — CID 25104332

IUPAC6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide
SMILESNNC(=O)CCCCC(=O)NCCSSCCNC(=O)CCCCC(=O)NN
InChIInChI=1S/C16H32N6O4S2/c17-21-15(25)7-3-1-5-13(23)19-9-11-27-28-12-10-20-14(24)6-2-4-8-16(26)22-18/h1-12,17-18H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyZRJRKXHIDSLOQW-UHFFFAOYSA-N
MW436.60 g/mol
LogP-0.30
Rot. Bonds17

About 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide

6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide (PubChem CID 25104332) has the molecular formula C16H32N6O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide.

Molecular Properties

Compound Name6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide
PubChem CID25104332
Molecular FormulaC16H32N6O4S2
Molecular Weight436.60 g/mol
Exact Mass436.19
IUPAC Name6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide
SMILESNNC(=O)CCCCC(=O)NCCSSCCNC(=O)CCCCC(=O)NN
InChIInChI=1S/C16H32N6O4S2/c17-21-15(25)7-3-1-5-13(23)19-9-11-27-28-12-10-20-14(24)6-2-4-8-16(26)22-18/h1-12,17-18H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyZRJRKXHIDSLOQW-UHFFFAOYSA-N
XLogP-0.30
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 5-0.30
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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Related Compounds

6-amino-N-[2-[2-(6-aminohexanoylamino)ethyldisulfanyl]ethyl]hexanamide
CID 17977446
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-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104448
N-[6-hydrazinyl-6-oxo-5-[(2-sulfanylacetyl)amino]hexyl]-2-sulfanylacetamide
CID 44473352
N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide
CID 58879701
5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide
CID 59203680
7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide
CID 59364567
N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide
CID 59364570
6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide
CID 59371140
N-[6-[[6-oxo-6-(2-sulfanylethylamino)hexanoyl]amino]hexyl]-N'-(2-sulfanylethyl)hexanediamide
CID 60113049
7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide
CID 143690477

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide?
The IUPAC name of 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide (CID 25104332) is 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide.
What is the SMILES notation for 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide?
The canonical SMILES for 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide is NNC(=O)CCCCC(=O)NCCSSCCNC(=O)CCCCC(=O)NN.
What is the InChIKey of 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide?
The InChIKey is ZRJRKXHIDSLOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6O4S2/c17-21-15(25)7-3-1-5-13(23)19-9-11-27-28-12-10-20-14(24)6-2-4-8-16(26)22-18/h1-12,17-18H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26).
What are the key properties of 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide?
6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide has a molecular weight of 436.60 g/mol, XLogP of -0.30, 17 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide is sourced from PubChem (CID 25104332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).