6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide

C9H18N3O3PS — CID 59371140

IUPAC6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide
SMILESO=C(P)NNC(=O)CCCCC(=O)NCCS
InChIInChI=1S/C9H18N3O3PS/c13-7(10-5-6-17)3-1-2-4-8(14)11-12-9(15)16/h17H,1-6,16H2,(H,10,13)(H,11,14)(H,12,15)
InChIKeyHPQYWRJXHAGHKW-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.21
Rot. Bonds7

About 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide

6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide (PubChem CID 59371140) has the molecular formula C9H18N3O3PS and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide.

Molecular Properties

Compound Name6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide
PubChem CID59371140
Molecular FormulaC9H18N3O3PS
Molecular Weight279.30 g/mol
Exact Mass279.08
IUPAC Name6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide
SMILESO=C(P)NNC(=O)CCCCC(=O)NCCS
InChIInChI=1S/C9H18N3O3PS/c13-7(10-5-6-17)3-1-2-4-8(14)11-12-9(15)16/h17H,1-6,16H2,(H,10,13)(H,11,14)(H,12,15)
InChIKeyHPQYWRJXHAGHKW-UHFFFAOYSA-N
XLogP0.21
TPSA87.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide?
The IUPAC name of 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide (CID 59371140) is 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide.
What is the SMILES notation for 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide?
The canonical SMILES for 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide is O=C(P)NNC(=O)CCCCC(=O)NCCS.
What is the InChIKey of 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide?
The InChIKey is HPQYWRJXHAGHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3O3PS/c13-7(10-5-6-17)3-1-2-4-8(14)11-12-9(15)16/h17H,1-6,16H2,(H,10,13)(H,11,14)(H,12,15).
What are the key properties of 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide?
6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide has a molecular weight of 279.30 g/mol, XLogP of 0.21, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)hexanamide is sourced from PubChem (CID 59371140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).