4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide

C11H18N4O3S — CID 106081849

IUPAC4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCCCNC2CC2)n[nH]1
InChIInChI=1S/C11H18N4O3S/c16-11-6-5-10(13-14-11)15-19(17,18)8-2-1-7-12-9-3-4-9/h5-6,9,12H,1-4,7-8H2,(H,13,15)(H,14,16)
InChIKeyDZEAARIPDQRCQL-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.04
Rot. Bonds8

About 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide (PubChem CID 106081849) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide
PubChem CID106081849
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCCCNC2CC2)n[nH]1
InChIInChI=1S/C11H18N4O3S/c16-11-6-5-10(13-14-11)15-19(17,18)8-2-1-7-12-9-3-4-9/h5-6,9,12H,1-4,7-8H2,(H,13,15)(H,14,16)
InChIKeyDZEAARIPDQRCQL-UHFFFAOYSA-N
XLogP0.04
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.04
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 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide (CID 106081849) is 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide is O=c1ccc(NS(=O)(=O)CCCCNC2CC2)n[nH]1.
What is the InChIKey of 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide?
The InChIKey is DZEAARIPDQRCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c16-11-6-5-10(13-14-11)15-19(17,18)8-2-1-7-12-9-3-4-9/h5-6,9,12H,1-4,7-8H2,(H,13,15)(H,14,16).
What are the key properties of 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 106081849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).