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

C10H12N4O3S2 — CID 106081746

IUPAC5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cs1
InChIInChI=1S/C10H12N4O3S2/c1-11-5-7-4-8(6-18-7)19(16,17)14-9-2-3-10(15)13-12-9/h2-4,6,11H,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyAGSCQVYWACDKHA-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.35
Rot. Bonds5

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

5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide (PubChem CID 106081746) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
PubChem CID106081746
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cs1
InChIInChI=1S/C10H12N4O3S2/c1-11-5-7-4-8(6-18-7)19(16,17)14-9-2-3-10(15)13-12-9/h2-4,6,11H,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyAGSCQVYWACDKHA-UHFFFAOYSA-N
XLogP0.35
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081830
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081796
5-methyl-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazole-4-sulfonamide
CID 106081725
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556
5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
CID 106069519
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786577
3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 119051525
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
5-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106283763

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide (CID 106081746) is 5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cs1.
What is the InChIKey of 5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
The InChIKey is AGSCQVYWACDKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-11-5-7-4-8(6-18-7)19(16,17)14-9-2-3-10(15)13-12-9/h2-4,6,11H,5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide has a molecular weight of 300.37 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106081746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).