6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline

C15H16N2O2S — CID 167907378

IUPAC6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
SMILESO=S(=O)(c1ccc2ncccc2c1)N1C[C@H]2CC[C@H]2C1
InChIInChI=1S/C15H16N2O2S/c18-20(19,17-9-12-3-4-13(12)10-17)14-5-6-15-11(8-14)2-1-7-16-15/h1-2,5-8,12-13H,3-4,9-10H2/t12-,13+
InChIKeyGLAWACZEAUYCDE-BETUJISGSA-N
MW288.37 g/mol
LogP2.27
Rot. Bonds2

About 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline

6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline (PubChem CID 167907378) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline.

Molecular Properties

Compound Name6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
PubChem CID167907378
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
SMILESO=S(=O)(c1ccc2ncccc2c1)N1C[C@H]2CC[C@H]2C1
InChIInChI=1S/C15H16N2O2S/c18-20(19,17-9-12-3-4-13(12)10-17)14-5-6-15-11(8-14)2-1-7-16-15/h1-2,5-8,12-13H,3-4,9-10H2/t12-,13+
InChIKeyGLAWACZEAUYCDE-BETUJISGSA-N
XLogP2.27
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779776
(3aS,6aR)-2-quinolin-6-ylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679416
7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline
CID 167965181
quinoline-6-sulfonamide
CID 23273907
ethane;6-methylsulfonylquinoline
CID 156875641
sodium;hydride;quinoline-6-sulfonic acid
CID 173122364
(3R)-N-(1,3-benzothiazol-5-yl)-1-quinolin-6-ylsulfonylpyrrolidine-3-carboxamide
CID 162523062
5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 69028522
6-(3,4-dimethylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 79179415
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide
CID 95775848
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline
CID 127038223

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline?
The IUPAC name of 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline (CID 167907378) is 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline.
What is the SMILES notation for 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline?
The canonical SMILES for 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline is O=S(=O)(c1ccc2ncccc2c1)N1C[C@H]2CC[C@H]2C1.
What is the InChIKey of 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline?
The InChIKey is GLAWACZEAUYCDE-BETUJISGSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-20(19,17-9-12-3-4-13(12)10-17)14-5-6-15-11(8-14)2-1-7-16-15/h1-2,5-8,12-13H,3-4,9-10H2/t12-,13+.
What are the key properties of 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline?
6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline has a molecular weight of 288.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline is sourced from PubChem (CID 167907378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).