2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline

C17H19N3O2S — CID 121153642

IUPAC2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1cccnc1)N1CC(N2CCc3ccccc3C2)C1
InChIInChI=1S/C17H19N3O2S/c21-23(22,17-6-3-8-18-10-17)20-12-16(13-20)19-9-7-14-4-1-2-5-15(14)11-19/h1-6,8,10,16H,7,9,11-13H2
InChIKeyBXEYDUNGHGPLGZ-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.51
Rot. Bonds3

About 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline

2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 121153642) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID121153642
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1cccnc1)N1CC(N2CCc3ccccc3C2)C1
InChIInChI=1S/C17H19N3O2S/c21-23(22,17-6-3-8-18-10-17)20-12-16(13-20)19-9-7-14-4-1-2-5-15(14)11-19/h1-6,8,10,16H,7,9,11-13H2
InChIKeyBXEYDUNGHGPLGZ-UHFFFAOYSA-N
XLogP1.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 18399942
1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
CID 66195772
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 121153679
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 121153688
2-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121153744
methyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]sulfonylbenzoate
CID 121153702
5-pyridin-3-ylsulfonyl-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepine
CID 84595628
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
2-[1-(4-methoxy-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 121153674
2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 124709196
2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121183729
2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523706

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline (CID 121153642) is 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline is O=S(=O)(c1cccnc1)N1CC(N2CCc3ccccc3C2)C1.
What is the InChIKey of 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is BXEYDUNGHGPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-23(22,17-6-3-8-18-10-17)20-12-16(13-20)19-9-7-14-4-1-2-5-15(14)11-19/h1-6,8,10,16H,7,9,11-13H2.
What are the key properties of 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline?
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 329.42 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 121153642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).