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

C9H16N4O3S — CID 106081781

IUPAC3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H16N4O3S/c1-2-10-6-3-7-17(15,16)13-8-4-5-9(14)12-11-8/h4-5,10H,2-3,6-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyDTQWVRLLRBBVLS-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.49
Rot. Bonds7

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

3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide (PubChem CID 106081781) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
PubChem CID106081781
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H16N4O3S/c1-2-10-6-3-7-17(15,16)13-8-4-5-9(14)12-11-8/h4-5,10H,2-3,6-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyDTQWVRLLRBBVLS-UHFFFAOYSA-N
XLogP-0.49
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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

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-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide (CID 106081781) is 3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The InChIKey is DTQWVRLLRBBVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-2-10-6-3-7-17(15,16)13-8-4-5-9(14)12-11-8/h4-5,10H,2-3,6-7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 106081781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).