N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide

C10H18N4O2S — CID 113044700

IUPACN-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
SMILESCCCCCNc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C10H18N4O2S/c1-3-4-5-8-11-9-6-7-10(13-12-9)14-17(2,15)16/h6-7H,3-5,8H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJESALXMANCGDMB-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.45
Rot. Bonds7

About N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide

N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide (PubChem CID 113044700) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
PubChem CID113044700
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
SMILESCCCCCNc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C10H18N4O2S/c1-3-4-5-8-11-9-6-7-10(13-12-9)14-17(2,15)16/h6-7H,3-5,8H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJESALXMANCGDMB-UHFFFAOYSA-N
XLogP1.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.45
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-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide
CID 113039467
4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044745
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(pentylamino)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113044728
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113044727
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
CID 113044637
3-[3-(dimethylamino)propylamino]-6-(dimethylsulfamoylamino)pyridazine
CID 113040165

Frequently Asked Questions

What is the IUPAC name of N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide (CID 113044700) is N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide is CCCCCNc1ccc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide?
The InChIKey is JESALXMANCGDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-4-5-8-11-9-6-7-10(13-12-9)14-17(2,15)16/h6-7H,3-5,8H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide?
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113044700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).