5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide

C11H14N4O3S2 — CID 106081830

IUPAC5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cs1
InChIInChI=1S/C11H14N4O3S2/c1-2-12-6-8-5-9(7-19-8)20(17,18)15-10-3-4-11(16)14-13-10/h3-5,7,12H,2,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyNHAQQNUYLOBYID-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.74
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide

5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide (PubChem CID 106081830) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
PubChem CID106081830
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cs1
InChIInChI=1S/C11H14N4O3S2/c1-2-12-6-8-5-9(7-19-8)20(17,18)15-10-3-4-11(16)14-13-10/h3-5,7,12H,2,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyNHAQQNUYLOBYID-UHFFFAOYSA-N
XLogP0.74
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081746
2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
CID 106081790
5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030281
3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 119051525
4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 102749443
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786577
1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 106081845
5-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106085088
5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093591
5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018941
4-(2-chloroethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787510
3-amino-2,5,6-trimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106505457

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide (CID 106081830) is 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cs1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
The InChIKey is NHAQQNUYLOBYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c1-2-12-6-8-5-9(7-19-8)20(17,18)15-10-3-4-11(16)14-13-10/h3-5,7,12H,2,6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide has a molecular weight of 314.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106081830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).