1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

C17H18F3N3O3S — CID 175075164

IUPAC1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESO=C(c1ccnc2ccccc12)N1CCCCC1CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H18F3N3O3S/c18-17(19,20)27(25,26)22-11-12-5-3-4-10-23(12)16(24)14-8-9-21-15-7-2-1-6-13(14)15/h1-2,6-9,12,22H,3-5,10-11H2
InChIKeyYFWWVKFQTXYKQJ-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.67
Rot. Bonds4

About 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 175075164) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID175075164
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC Name1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESO=C(c1ccnc2ccccc12)N1CCCCC1CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H18F3N3O3S/c18-17(19,20)27(25,26)22-11-12-5-3-4-10-23(12)16(24)14-8-9-21-15-7-2-1-6-13(14)15/h1-2,6-9,12,22H,3-5,10-11H2
InChIKeyYFWWVKFQTXYKQJ-UHFFFAOYSA-N
XLogP2.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 115645845
N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 47029988
3-[[(2S)-1-(quinoline-5-carbonyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 95830658
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 67090343
(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid
CID 67089806
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104741635
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110103671
1-[2-[(sulfamoylamino)methyl]piperidine-1-carbonyl]indolizine
CID 154785610
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
1,2-oxazolidin-2-yl(quinolin-4-yl)methanone
CID 113375772
(1-quinolin-4-ylpiperidin-2-yl)methanol
CID 61339741

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 175075164) is 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is O=C(c1ccnc2ccccc12)N1CCCCC1CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is YFWWVKFQTXYKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c18-17(19,20)27(25,26)22-11-12-5-3-4-10-23(12)16(24)14-8-9-21-15-7-2-1-6-13(14)15/h1-2,6-9,12,22H,3-5,10-11H2.
What are the key properties of 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 401.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[[1-(quinoline-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 175075164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).