N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide

C11H20N4O3S — CID 106081735

IUPACN-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H20N4O3S/c1-9(2)12-7-3-4-8-19(17,18)15-10-5-6-11(16)14-13-10/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCNJBYTADOBVOSY-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.29
Rot. Bonds8

About N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide

N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 106081735) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID106081735
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H20N4O3S/c1-9(2)12-7-3-4-8-19(17,18)15-10-5-6-11(16)14-13-10/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCNJBYTADOBVOSY-UHFFFAOYSA-N
XLogP0.29
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide (CID 106081735) is N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is CNJBYTADOBVOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9(2)12-7-3-4-8-19(17,18)15-10-5-6-11(16)14-13-10/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide?
N-(6-oxo-1H-pyridazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.29, 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)-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 106081735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).