N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine

C12H15F3N2O2S — CID 71967926

IUPACN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)CC1(CNc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-20(18,19)8-11(5-6-11)7-16-10-4-2-3-9(17-10)12(13,14)15/h2-4H,5-8H2,1H3,(H,16,17)
InChIKeyXXALDKSPXFTEHS-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.34
Rot. Bonds5

About N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine

N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 71967926) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID71967926
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)CC1(CNc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-20(18,19)8-11(5-6-11)7-16-10-4-2-3-9(17-10)12(13,14)15/h2-4H,5-8H2,1H3,(H,16,17)
InChIKeyXXALDKSPXFTEHS-UHFFFAOYSA-N
XLogP2.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine (CID 71967926) is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)CC1(CNc2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XXALDKSPXFTEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-20(18,19)8-11(5-6-11)7-16-10-4-2-3-9(17-10)12(13,14)15/h2-4H,5-8H2,1H3,(H,16,17).
What are the key properties of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 308.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71967926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).