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

C8H14N4O3S — CID 106081798

IUPAC3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H14N4O3S/c1-9-5-2-6-16(14,15)12-7-3-4-8(13)11-10-7/h3-4,9H,2,5-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyHXNNXMJQIDJBRY-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.88
Rot. Bonds6

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

3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide (PubChem CID 106081798) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
PubChem CID106081798
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H14N4O3S/c1-9-5-2-6-16(14,15)12-7-3-4-8(13)11-10-7/h3-4,9H,2,5-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyHXNNXMJQIDJBRY-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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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide (CID 106081798) is 3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The InChIKey is HXNNXMJQIDJBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-9-5-2-6-16(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 3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide 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 3-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 106081798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).