3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one

C17H20N4O3S — CID 131702175

IUPAC3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one
SMILESCS(=O)(=O)c1ccc(CCC(=O)N2CC(Nc3cccnn3)C2)cc1
InChIInChI=1S/C17H20N4O3S/c1-25(23,24)15-7-4-13(5-8-15)6-9-17(22)21-11-14(12-21)19-16-3-2-10-18-20-16/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,19,20)
InChIKeyBXGQRLTYHJQWRQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.14
Rot. Bonds6

About 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one

3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one (PubChem CID 131702175) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one
PubChem CID131702175
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one
SMILESCS(=O)(=O)c1ccc(CCC(=O)N2CC(Nc3cccnn3)C2)cc1
InChIInChI=1S/C17H20N4O3S/c1-25(23,24)15-7-4-13(5-8-15)6-9-17(22)21-11-14(12-21)19-16-3-2-10-18-20-16/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,19,20)
InChIKeyBXGQRLTYHJQWRQ-UHFFFAOYSA-N
XLogP1.14
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-1-[3-(pyrimidin-4-ylamino)azetidin-1-yl]propan-1-one
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1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(4-methylsulfonylphenyl)propan-1-one
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3-(4-methylsulfonylphenyl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
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3-(4-methylsulfonylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one
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4-[3-(3,4-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonyl chloride
CID 79179612
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one
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[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone
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2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone
CID 126855190
N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide
CID 70730426
3-(4-fluoro-3-methylphenyl)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]propan-1-one
CID 121187398
N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one (CID 131702175) is 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one is CS(=O)(=O)c1ccc(CCC(=O)N2CC(Nc3cccnn3)C2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one?
The InChIKey is BXGQRLTYHJQWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-25(23,24)15-7-4-13(5-8-15)6-9-17(22)21-11-14(12-21)19-16-3-2-10-18-20-16/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,19,20).
What are the key properties of 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one?
3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one has a molecular weight of 360.44 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 131702175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).