N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide

C13H21N5O2S — CID 126916696

IUPACN-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)N3CCCC3)C2)nn1
InChIInChI=1S/C13H21N5O2S/c1-11-4-5-13(16-15-11)17-9-12(10-17)8-14-21(19,20)18-6-2-3-7-18/h4-5,12,14H,2-3,6-10H2,1H3
InChIKeyRZQPHHQARDLSGF-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.15
Rot. Bonds5

About N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide

N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 126916696) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID126916696
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)N3CCCC3)C2)nn1
InChIInChI=1S/C13H21N5O2S/c1-11-4-5-13(16-15-11)17-9-12(10-17)8-14-21(19,20)18-6-2-3-7-18/h4-5,12,14H,2-3,6-10H2,1H3
InChIKeyRZQPHHQARDLSGF-UHFFFAOYSA-N
XLogP0.15
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126918555
1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide
CID 126916698
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
CID 126918618
N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126921588
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]cyclobutanamine
CID 126916780
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide
CID 126920005
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 126916846
5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 126916841
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
6-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126920030

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide (CID 126916696) is N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide is Cc1ccc(N2CC(CNS(=O)(=O)N3CCCC3)C2)nn1.
What is the InChIKey of N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is RZQPHHQARDLSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-11-4-5-13(16-15-11)17-9-12(10-17)8-14-21(19,20)18-6-2-3-7-18/h4-5,12,14H,2-3,6-10H2,1H3.
What are the key properties of N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 126916696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).