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

C9H16N4O3S — CID 106081845

IUPAC1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H16N4O3S/c1-3-10-6-7(2)17(15,16)13-8-4-5-9(14)12-11-8/h4-5,7,10H,3,6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyURGMDPHEIXJYBJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.49
Rot. Bonds6

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

1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide (PubChem CID 106081845) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
PubChem CID106081845
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H16N4O3S/c1-3-10-6-7(2)17(15,16)13-8-4-5-9(14)12-11-8/h4-5,7,10H,3,6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyURGMDPHEIXJYBJ-UHFFFAOYSA-N
XLogP-0.49
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 116786583
1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086976
5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081830
2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
CID 106081790
5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
CID 116787848
1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide
CID 114141265
N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
CID 106058008
5-methyl-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazole-4-sulfonamide
CID 106081725
5-(aminomethyl)-2,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081824
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114140099
1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
CID 106016143

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide (CID 106081845) is 1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide?
The InChIKey is URGMDPHEIXJYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-3-10-6-7(2)17(15,16)13-8-4-5-9(14)12-11-8/h4-5,7,10H,3,6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide?
1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 106081845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).