3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline

C16H17F3N2O2S — CID 36506249

IUPAC3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCC[C@H](C(F)(F)F)C3)cccc2c1
InChIInChI=1S/C16H17F3N2O2S/c1-11-8-12-4-2-6-14(15(12)20-9-11)24(22,23)21-7-3-5-13(10-21)16(17,18)19/h2,4,6,8-9,13H,3,5,7,10H2,1H3/t13-/m0/s1
InChIKeyDJJLVRALBZHHQZ-ZDUSSCGKSA-N
MW358.39 g/mol
LogP3.51
Rot. Bonds2

About 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline

3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline (PubChem CID 36506249) has the molecular formula C16H17F3N2O2S and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline
PubChem CID36506249
Molecular FormulaC16H17F3N2O2S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC Name3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCC[C@H](C(F)(F)F)C3)cccc2c1
InChIInChI=1S/C16H17F3N2O2S/c1-11-8-12-4-2-6-14(15(12)20-9-11)24(22,23)21-7-3-5-13(10-21)16(17,18)19/h2,4,6,8-9,13H,3,5,7,10H2,1H3/t13-/m0/s1
InChIKeyDJJLVRALBZHHQZ-ZDUSSCGKSA-N
XLogP3.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
CID 110892063
2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
CID 42939516
N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 124684923
3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 167832851
1-(2-tert-butyl-4-methylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 70913404
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
CID 120714217
3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline
CID 146130519
(4aR,8aS)-4-(3-methylquinolin-8-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100890221
3-methyl-8-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylquinoline
CID 37089838
(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 2082096
N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444315
3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
CID 62673138

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline?
The IUPAC name of 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline (CID 36506249) is 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline?
The canonical SMILES for 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline is Cc1cnc2c(S(=O)(=O)N3CCC[C@H](C(F)(F)F)C3)cccc2c1.
What is the InChIKey of 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline?
The InChIKey is DJJLVRALBZHHQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17F3N2O2S/c1-11-8-12-4-2-6-14(15(12)20-9-11)24(22,23)21-7-3-5-13(10-21)16(17,18)19/h2,4,6,8-9,13H,3,5,7,10H2,1H3/t13-/m0/s1.
What are the key properties of 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline?
3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline has a molecular weight of 358.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 36506249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).