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

C10H18N4O3S — CID 106081707

IUPACN-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H18N4O3S/c1-2-6-11-7-3-8-18(16,17)14-9-4-5-10(15)13-12-9/h4-5,11H,2-3,6-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyHVDIHEIBBQOGAZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.10
Rot. Bonds8

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

N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide (PubChem CID 106081707) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide
PubChem CID106081707
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H18N4O3S/c1-2-6-11-7-3-8-18(16,17)14-9-4-5-10(15)13-12-9/h4-5,11H,2-3,6-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyHVDIHEIBBQOGAZ-UHFFFAOYSA-N
XLogP-0.10
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.10
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 N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide (CID 106081707) is N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide is CCCNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide?
The InChIKey is HVDIHEIBBQOGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-2-6-11-7-3-8-18(16,17)14-9-4-5-10(15)13-12-9/h4-5,11H,2-3,6-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide?
N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)-3-(propylamino)propane-1-sulfonamide is sourced from PubChem (CID 106081707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).