N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide

C11H20N4O3S — CID 106081818

IUPACN-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H20N4O3S/c1-2-7-12-8-3-4-9-19(17,18)15-10-5-6-11(16)14-13-10/h5-6,12H,2-4,7-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyLNCHDIVCORTTKK-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.29
Rot. Bonds9

About N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide

N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide (PubChem CID 106081818) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide
PubChem CID106081818
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H20N4O3S/c1-2-7-12-8-3-4-9-19(17,18)15-10-5-6-11(16)14-13-10/h5-6,12H,2-4,7-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyLNCHDIVCORTTKK-UHFFFAOYSA-N
XLogP0.29
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide (CID 106081818) is N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide?
The InChIKey is LNCHDIVCORTTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-2-7-12-8-3-4-9-19(17,18)15-10-5-6-11(16)14-13-10/h5-6,12H,2-4,7-9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide?
N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106081818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).