N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine

C15H20F4N2O2S — CID 120711972

IUPACN-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C15H20F4N2O2S/c1-2-20-10-11-5-7-21(8-6-11)24(22,23)12-3-4-13(14(16)9-12)15(17,18)19/h3-4,9,11,20H,2,5-8,10H2,1H3
InChIKeyDYQFLCPZTRJZJF-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.85
Rot. Bonds5

About N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine

N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine (PubChem CID 120711972) has the molecular formula C15H20F4N2O2S and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine
PubChem CID120711972
Molecular FormulaC15H20F4N2O2S
Molecular Weight368.40 g/mol
Exact Mass368.12
IUPAC NameN-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C15H20F4N2O2S/c1-2-20-10-11-5-7-21(8-6-11)24(22,23)12-3-4-13(14(16)9-12)15(17,18)19/h3-4,9,11,20H,2,5-8,10H2,1H3
InChIKeyDYQFLCPZTRJZJF-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850001
N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 2738507
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
4-{2-[(2-Phenylethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 17158039
1-(4-Methyl benzene)-sulfonyl-cis-2,6-dimethylpiperidine
CID 27764355
4-Methyl-1-tosylpiperidine
CID 755367
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 825437
1-[3-(Trifluoromethyl)benzenesulfonyl]piperazine
CID 2305612
N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 2773944

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine (CID 120711972) is N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine is CCNCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine?
The InChIKey is DYQFLCPZTRJZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O2S/c1-2-20-10-11-5-7-21(8-6-11)24(22,23)12-3-4-13(14(16)9-12)15(17,18)19/h3-4,9,11,20H,2,5-8,10H2,1H3.
What are the key properties of N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine?
N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine has a molecular weight of 368.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 120711972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).