N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine

C9H11F3N2O2S — CID 54935080

IUPACN-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCNc1ncccc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-17(15,16)6-5-14-8-7(9(10,11)12)3-2-4-13-8/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyUXDFCVYOUPGTJT-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.56
Rot. Bonds4

About N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine

N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 54935080) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID54935080
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC NameN-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCNc1ncccc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-17(15,16)6-5-14-8-7(9(10,11)12)3-2-4-13-8/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyUXDFCVYOUPGTJT-UHFFFAOYSA-N
XLogP1.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 54935080) is N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)CCNc1ncccc1C(F)(F)F.
What is the InChIKey of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UXDFCVYOUPGTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-17(15,16)6-5-14-8-7(9(10,11)12)3-2-4-13-8/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 268.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 54935080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).