7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide

C18H36N6O4S2 — CID 59364567

IUPAC7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide
SMILESNNC(=O)CCCCCC(=O)NCCSSCCNC(=O)CCCCCC(=O)NN
InChIInChI=1S/C18H36N6O4S2/c19-23-17(27)9-5-1-3-7-15(25)21-11-13-29-30-14-12-22-16(26)8-4-2-6-10-18(28)24-20/h1-14,19-20H2,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyHTOOMOPDVHHNPF-UHFFFAOYSA-N
MW464.66 g/mol
LogP0.48
Rot. Bonds19

About 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide

7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide (PubChem CID 59364567) has the molecular formula C18H36N6O4S2 and a molecular weight of 464.66 g/mol. Its IUPAC name is 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide.

Molecular Properties

Compound Name7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide
PubChem CID59364567
Molecular FormulaC18H36N6O4S2
Molecular Weight464.66 g/mol
Exact Mass464.22
IUPAC Name7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide
SMILESNNC(=O)CCCCCC(=O)NCCSSCCNC(=O)CCCCCC(=O)NN
InChIInChI=1S/C18H36N6O4S2/c19-23-17(27)9-5-1-3-7-15(25)21-11-13-29-30-14-12-22-16(26)8-4-2-6-10-18(28)24-20/h1-14,19-20H2,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyHTOOMOPDVHHNPF-UHFFFAOYSA-N
XLogP0.48
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.66
LogP ≤ 50.48
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 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide?
The IUPAC name of 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide (CID 59364567) is 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide.
What is the SMILES notation for 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide?
The canonical SMILES for 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide is NNC(=O)CCCCCC(=O)NCCSSCCNC(=O)CCCCCC(=O)NN.
What is the InChIKey of 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide?
The InChIKey is HTOOMOPDVHHNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O4S2/c19-23-17(27)9-5-1-3-7-15(25)21-11-13-29-30-14-12-22-16(26)8-4-2-6-10-18(28)24-20/h1-14,19-20H2,(H,21,25)(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide?
7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide has a molecular weight of 464.66 g/mol, XLogP of 0.48, 19 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide is sourced from PubChem (CID 59364567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).