7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide

C10H20N3O3PS — CID 59371133

IUPAC7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide
SMILESO=C(P)NNC(=O)CCCCCC(=O)NCCS
InChIInChI=1S/C10H20N3O3PS/c14-8(11-6-7-18)4-2-1-3-5-9(15)12-13-10(16)17/h18H,1-7,17H2,(H,11,14)(H,12,15)(H,13,16)
InChIKeySVJNHFRDYYYRPS-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.60
Rot. Bonds8

About 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide

7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide (PubChem CID 59371133) has the molecular formula C10H20N3O3PS and a molecular weight of 293.33 g/mol. Its IUPAC name is 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide.

Molecular Properties

Compound Name7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide
PubChem CID59371133
Molecular FormulaC10H20N3O3PS
Molecular Weight293.33 g/mol
Exact Mass293.10
IUPAC Name7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide
SMILESO=C(P)NNC(=O)CCCCCC(=O)NCCS
InChIInChI=1S/C10H20N3O3PS/c14-8(11-6-7-18)4-2-1-3-5-9(15)12-13-10(16)17/h18H,1-7,17H2,(H,11,14)(H,12,15)(H,13,16)
InChIKeySVJNHFRDYYYRPS-UHFFFAOYSA-N
XLogP0.60
TPSA87.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.60
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'}

Analyze 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide?
The IUPAC name of 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide (CID 59371133) is 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide.
What is the SMILES notation for 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide?
The canonical SMILES for 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide is O=C(P)NNC(=O)CCCCCC(=O)NCCS.
What is the InChIKey of 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide?
The InChIKey is SVJNHFRDYYYRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N3O3PS/c14-8(11-6-7-18)4-2-1-3-5-9(15)12-13-10(16)17/h18H,1-7,17H2,(H,11,14)(H,12,15)(H,13,16).
What are the key properties of 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide?
7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide has a molecular weight of 293.33 g/mol, XLogP of 0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-7-(2-phosphanylcarbonylhydrazinyl)-N-(2-sulfanylethyl)heptanamide is sourced from PubChem (CID 59371133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).