N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

C11H15F3N2O2S — CID 71871108

IUPACN-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCC(CS(C)(=O)=O)N(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2S/c1-8(7-19(3,17)18)16(2)10-6-4-5-9(15-10)11(12,13)14/h4-6,8H,7H2,1-3H3
InChIKeyQHTVPYQEZZZHCL-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.97
Rot. Bonds4

About N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 71871108) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID71871108
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCC(CS(C)(=O)=O)N(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2S/c1-8(7-19(3,17)18)16(2)10-6-4-5-9(15-10)11(12,13)14/h4-6,8H,7H2,1-3H3
InChIKeyQHTVPYQEZZZHCL-UHFFFAOYSA-N
XLogP1.97
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 71871108) is N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is CC(CS(C)(=O)=O)N(C)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QHTVPYQEZZZHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-8(7-19(3,17)18)16(2)10-6-4-5-9(15-10)11(12,13)14/h4-6,8H,7H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 296.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71871108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).