N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide

C18H36N4O3S2 — CID 58879701

IUPACN-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide
SMILESNNC(=O)C(CCCCNC(=O)CCCCCS)NC(=O)CCCCCS
InChIInChI=1S/C18H36N4O3S2/c19-22-18(25)15(21-17(24)11-4-2-8-14-27)9-5-6-12-20-16(23)10-3-1-7-13-26/h15,26-27H,1-14,19H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeySDWMFUDMDFNQCT-UHFFFAOYSA-N
MW420.65 g/mol
LogP1.73
Rot. Bonds17

About N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide

N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide (PubChem CID 58879701) has the molecular formula C18H36N4O3S2 and a molecular weight of 420.65 g/mol. Its IUPAC name is N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide.

Molecular Properties

Compound NameN-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide
PubChem CID58879701
Molecular FormulaC18H36N4O3S2
Molecular Weight420.65 g/mol
Exact Mass420.22
IUPAC NameN-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide
SMILESNNC(=O)C(CCCCNC(=O)CCCCCS)NC(=O)CCCCCS
InChIInChI=1S/C18H36N4O3S2/c19-22-18(25)15(21-17(24)11-4-2-8-14-27)9-5-6-12-20-16(23)10-3-1-7-13-26/h15,26-27H,1-14,19H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeySDWMFUDMDFNQCT-UHFFFAOYSA-N
XLogP1.73
TPSA113.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.65
LogP ≤ 51.73
H-Bond Donors ≤ 56
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide?
The IUPAC name of N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide (CID 58879701) is N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide.
What is the SMILES notation for N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide?
The canonical SMILES for N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide is NNC(=O)C(CCCCNC(=O)CCCCCS)NC(=O)CCCCCS.
What is the InChIKey of N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide?
The InChIKey is SDWMFUDMDFNQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O3S2/c19-22-18(25)15(21-17(24)11-4-2-8-14-27)9-5-6-12-20-16(23)10-3-1-7-13-26/h15,26-27H,1-14,19H2,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide?
N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide has a molecular weight of 420.65 g/mol, XLogP of 1.73, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-hydrazinyl-6-oxo-5-(6-sulfanylhexanoylamino)hexyl]-6-sulfanylhexanamide is sourced from PubChem (CID 58879701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).