N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine

C11H15F3N2O2S — CID 79561653

IUPACN-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(CNc1ccc(C(F)(F)F)cn1)S(C)(=O)=O
InChIInChI=1S/C11H15F3N2O2S/c1-10(2,19(3,17)18)7-16-9-5-4-8(6-15-9)11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyOSYABLSPTSEFRA-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.34
Rot. Bonds4

About N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine

N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 79561653) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID79561653
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(CNc1ccc(C(F)(F)F)cn1)S(C)(=O)=O
InChIInChI=1S/C11H15F3N2O2S/c1-10(2,19(3,17)18)7-16-9-5-4-8(6-15-9)11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyOSYABLSPTSEFRA-UHFFFAOYSA-N
XLogP2.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine (CID 79561653) is N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine is CC(C)(CNc1ccc(C(F)(F)F)cn1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OSYABLSPTSEFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-10(2,19(3,17)18)7-16-9-5-4-8(6-15-9)11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 296.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 79561653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).