2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine

C14H15N3O2S — CID 114523706

IUPAC2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C14H15N3O2S/c15-14-5-1-3-11-6-8-17(10-13(11)14)20(18,19)12-4-2-7-16-9-12/h1-5,7,9H,6,8,10,15H2
InChIKeyCCHUVAZGBGKOIO-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.41
Rot. Bonds2

About 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine

2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114523706) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114523706
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C14H15N3O2S/c15-14-5-1-3-11-6-8-17(10-13(11)14)20(18,19)12-4-2-7-16-9-12/h1-5,7,9H,6,8,10,15H2
InChIKeyCCHUVAZGBGKOIO-UHFFFAOYSA-N
XLogP1.41
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523766
2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523604
4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole
CID 142592094
2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019131
2-(2,5-dichlorothiophen-3-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523736
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121153642
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 18399942
2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017681
2-pyridin-3-ylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3725718
3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 53185499
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
CID 13098689
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 114523706) is 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(S(=O)(=O)c1cccnc1)CC2.
What is the InChIKey of 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is CCHUVAZGBGKOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c15-14-5-1-3-11-6-8-17(10-13(11)14)20(18,19)12-4-2-7-16-9-12/h1-5,7,9H,6,8,10,15H2.
What are the key properties of 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine?
2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 289.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114523706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).