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

C19H23N3O2S — CID 18399942

IUPAC2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1cccnc1)N1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H23N3O2S/c23-25(24,19-6-3-10-20-14-19)22-12-8-18(9-13-22)21-11-7-16-4-1-2-5-17(16)15-21/h1-6,10,14,18H,7-9,11-13,15H2
InChIKeyAZXOVEYTYTXVLG-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.29
Rot. Bonds3

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

2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 18399942) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID18399942
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1cccnc1)N1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H23N3O2S/c23-25(24,19-6-3-10-20-14-19)22-12-8-18(9-13-22)21-11-7-16-4-1-2-5-17(16)15-21/h1-6,10,14,18H,7-9,11-13,15H2
InChIKeyAZXOVEYTYTXVLG-UHFFFAOYSA-N
XLogP2.29
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121153642
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 124709196
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
5-pyridin-3-ylsulfonyl-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepine
CID 84595628
(4-cyclopentylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 3240878
2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523706
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63877172
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 18399942) is 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline is O=S(=O)(c1cccnc1)N1CCC(N2CCc3ccccc3C2)CC1.
What is the InChIKey of 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is AZXOVEYTYTXVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-25(24,19-6-3-10-20-14-19)22-12-8-18(9-13-22)21-11-7-16-4-1-2-5-17(16)15-21/h1-6,10,14,18H,7-9,11-13,15H2.
What are the key properties of 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline?
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 357.48 g/mol, XLogP of 2.29, 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-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 18399942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).