3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide

C8H14N4O2S — CID 106549682

IUPAC3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
SMILESCc1cnnc(NCCCS(N)(=O)=O)c1
InChIInChI=1S/C8H14N4O2S/c1-7-5-8(12-11-6-7)10-3-2-4-15(9,13)14/h5-6H,2-4H2,1H3,(H,10,12)(H2,9,13,14)
InChIKeyZRWSROCOCHLCIG-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.12
Rot. Bonds5

About 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide

3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide (PubChem CID 106549682) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
PubChem CID106549682
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
SMILESCc1cnnc(NCCCS(N)(=O)=O)c1
InChIInChI=1S/C8H14N4O2S/c1-7-5-8(12-11-6-7)10-3-2-4-15(9,13)14/h5-6H,2-4H2,1H3,(H,10,12)(H2,9,13,14)
InChIKeyZRWSROCOCHLCIG-UHFFFAOYSA-N
XLogP-0.12
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.12
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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Related Compounds

N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
5-methyl-N-pent-4-ynylpyridazin-3-amine
CID 106222465
N-but-3-ynyl-5-methylpyridazin-3-amine
CID 106549778
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
CID 106549900
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80903168
N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
CID 106549525
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
CID 106154444
N-(3-imidazol-1-ylpropyl)-5-methylpyridazin-3-amine
CID 106549494

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide (CID 106549682) is 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide is Cc1cnnc(NCCCS(N)(=O)=O)c1.
What is the InChIKey of 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide?
The InChIKey is ZRWSROCOCHLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-7-5-8(12-11-6-7)10-3-2-4-15(9,13)14/h5-6H,2-4H2,1H3,(H,10,12)(H2,9,13,14).
What are the key properties of 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide?
3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 106549682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).