1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol

C13H19NO3S — CID 55234624

IUPAC1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol
SMILESCC(C)(C)S(=O)(=O)N1CCCc2cccc(O)c21
InChIInChI=1S/C13H19NO3S/c1-13(2,3)18(16,17)14-9-5-7-10-6-4-8-11(15)12(10)14/h4,6,8,15H,5,7,9H2,1-3H3
InChIKeyUIOAQWXRCOUFQV-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.27
Rot. Bonds1

About 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol

1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol (PubChem CID 55234624) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol.

Molecular Properties

Compound Name1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol
PubChem CID55234624
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol
SMILESCC(C)(C)S(=O)(=O)N1CCCc2cccc(O)c21
InChIInChI=1S/C13H19NO3S/c1-13(2,3)18(16,17)14-9-5-7-10-6-4-8-11(15)12(10)14/h4,6,8,15H,5,7,9H2,1-3H3
InChIKeyUIOAQWXRCOUFQV-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 63214935
1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 63215072
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
CID 115970115
8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 127336057
1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662224
8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 64591215
1-(bromomethylsulfonyl)-8-methyl-3,4-dihydro-2H-quinoline
CID 83084250
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 106741641
N,N-diethyl-8-hydroxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 79161867
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol
CID 81233802
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol?
The IUPAC name of 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol (CID 55234624) is 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol.
What is the SMILES notation for 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol?
The canonical SMILES for 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol is CC(C)(C)S(=O)(=O)N1CCCc2cccc(O)c21.
What is the InChIKey of 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol?
The InChIKey is UIOAQWXRCOUFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2,3)18(16,17)14-9-5-7-10-6-4-8-11(15)12(10)14/h4,6,8,15H,5,7,9H2,1-3H3.
What are the key properties of 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol?
1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol has a molecular weight of 269.37 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol is sourced from PubChem (CID 55234624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).