2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

C8H14N4O3S — CID 116787343

IUPAC2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H14N4O3S/c1-2-9-5-6-16(14,15)12-7-3-4-8(13)11-10-7/h3-4,9H,2,5-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyZLYJSWWIGFXPAQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.88
Rot. Bonds6

About 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (PubChem CID 116787343) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
PubChem CID116787343
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H14N4O3S/c1-2-9-5-6-16(14,15)12-7-3-4-8(13)11-10-7/h3-4,9H,2,5-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyZLYJSWWIGFXPAQ-UHFFFAOYSA-N
XLogP-0.88
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.88
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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Related Compounds

1-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethylsulfanyl]urea
CID 88760033
N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide
CID 106081707
1-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 106081727
4-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide
CID 106081734
N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106081735
2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
CID 106081745
3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
CID 106081777
N-(6-oxo-1H-pyridazin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106081778
3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
CID 106081781
1-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 106081795
3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
CID 106081798
N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106081818

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (CID 116787343) is 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is CCNCCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The InChIKey is ZLYJSWWIGFXPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-2-9-5-6-16(14,15)12-7-3-4-8(13)11-10-7/h3-4,9H,2,5-6H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is sourced from PubChem (CID 116787343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).