[1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride

C13H19ClN4O3S — CID 19879188

IUPAC[1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)CC1(COc2ccc3nccn3n2)CCCC1
InChIInChI=1S/C13H18N4O3S.ClH/c14-21(18,19)10-13(5-1-2-6-13)9-20-12-4-3-11-15-7-8-17(11)16-12;/h3-4,7-8H,1-2,5-6,9-10H2,(H2,14,18,19);1H
InChIKeyNKCFVZGCIWQZHO-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.38
Rot. Bonds5

About [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride

[1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride (PubChem CID 19879188) has the molecular formula C13H19ClN4O3S and a molecular weight of 346.84 g/mol. Its IUPAC name is [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name[1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride
PubChem CID19879188
Molecular FormulaC13H19ClN4O3S
Molecular Weight346.84 g/mol
Exact Mass346.09
IUPAC Name[1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)CC1(COc2ccc3nccn3n2)CCCC1
InChIInChI=1S/C13H18N4O3S.ClH/c14-21(18,19)10-13(5-1-2-6-13)9-20-12-4-3-11-15-7-8-17(11)16-12;/h3-4,7-8H,1-2,5-6,9-10H2,(H2,14,18,19);1H
InChIKeyNKCFVZGCIWQZHO-UHFFFAOYSA-N
XLogP1.38
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride?
The IUPAC name of [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride (CID 19879188) is [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride?
The canonical SMILES for [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride is Cl.NS(=O)(=O)CC1(COc2ccc3nccn3n2)CCCC1.
What is the InChIKey of [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride?
The InChIKey is NKCFVZGCIWQZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S.ClH/c14-21(18,19)10-13(5-1-2-6-13)9-20-12-4-3-11-15-7-8-17(11)16-12;/h3-4,7-8H,1-2,5-6,9-10H2,(H2,14,18,19);1H.
What are the key properties of [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride?
[1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride has a molecular weight of 346.84 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(imidazo[1,2-b]pyridazin-6-yloxymethyl)cyclopentyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 19879188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).