N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide

C11H20N4O2S — CID 45497007

IUPACN-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCNc1ccc(C)nn1
InChIInChI=1S/C11H20N4O2S/c1-3-4-9-18(16,17)13-8-7-12-11-6-5-10(2)14-15-11/h5-6,13H,3-4,7-9H2,1-2H3,(H,12,15)
InChIKeyZLITVRVULYQRCD-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.92
Rot. Bonds8

About N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide

N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide (PubChem CID 45497007) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide
PubChem CID45497007
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCNc1ccc(C)nn1
InChIInChI=1S/C11H20N4O2S/c1-3-4-9-18(16,17)13-8-7-12-11-6-5-10(2)14-15-11/h5-6,13H,3-4,7-9H2,1-2H3,(H,12,15)
InChIKeyZLITVRVULYQRCD-UHFFFAOYSA-N
XLogP0.92
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.92
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 N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide (CID 45497007) is N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCNc1ccc(C)nn1.
What is the InChIKey of N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide?
The InChIKey is ZLITVRVULYQRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-4-9-18(16,17)13-8-7-12-11-6-5-10(2)14-15-11/h5-6,13H,3-4,7-9H2,1-2H3,(H,12,15).
What are the key properties of N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide?
N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 45497007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).