4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide

C9H16N4O2S — CID 106895525

IUPAC4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C9H16N4O2S/c10-5-1-2-7-16(14,15)12-8-9-4-3-6-11-13-9/h3-4,6,12H,1-2,5,7-8,10H2
InChIKeyIJIAYRDTSFFINL-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.37
Rot. Bonds7

About 4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide

4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide (PubChem CID 106895525) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide
PubChem CID106895525
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C9H16N4O2S/c10-5-1-2-7-16(14,15)12-8-9-4-3-6-11-13-9/h3-4,6,12H,1-2,5,7-8,10H2
InChIKeyIJIAYRDTSFFINL-UHFFFAOYSA-N
XLogP-0.37
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
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-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide (CID 106895525) is 4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide is NCCCCS(=O)(=O)NCc1cccnn1.
What is the InChIKey of 4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide?
The InChIKey is IJIAYRDTSFFINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c10-5-1-2-7-16(14,15)12-8-9-4-3-6-11-13-9/h3-4,6,12H,1-2,5,7-8,10H2.
What are the key properties of 4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide?
4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(pyridazin-3-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 106895525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).