4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine

C11H15F3N2O2S — CID 105113529

IUPAC4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
SMILESCS(=O)(=O)CCCC(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2O2S/c1-19(17,18)6-2-3-9(15)10-5-4-8(7-16-10)11(12,13)14/h4-5,7,9H,2-3,6,15H2,1H3
InChIKeyZZHUFYROZBBQIU-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.92
Rot. Bonds5

About 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine

4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine (PubChem CID 105113529) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
PubChem CID105113529
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
SMILESCS(=O)(=O)CCCC(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2O2S/c1-19(17,18)6-2-3-9(15)10-5-4-8(7-16-10)11(12,13)14/h4-5,7,9H,2-3,6,15H2,1H3
InChIKeyZZHUFYROZBBQIU-UHFFFAOYSA-N
XLogP1.92
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105112912
1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478
1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
CID 105125097
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
5-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 115820554
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450
3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
CID 105176912
2-(2,6-dimethylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105174687
1-[2-amino-5-(trifluoromethyl)phenyl]-4-methylsulfonylbutan-1-ol
CID 115911626
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105169295

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
The IUPAC name of 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine (CID 105113529) is 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine.
What is the SMILES notation for 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
The canonical SMILES for 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine is CS(=O)(=O)CCCC(N)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
The InChIKey is ZZHUFYROZBBQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-19(17,18)6-2-3-9(15)10-5-4-8(7-16-10)11(12,13)14/h4-5,7,9H,2-3,6,15H2,1H3.
What are the key properties of 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine has a molecular weight of 296.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine is sourced from PubChem (CID 105113529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).