N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C15H15F3N2OS — CID 71977898

IUPACN-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccc(S(C)=O)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2OS/c1-20(10-11-3-6-13(7-4-11)22(2)21)14-8-5-12(9-19-14)15(16,17)18/h3-9H,10H2,1-2H3
InChIKeyQWSSCJMSZMEGOI-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.47
Rot. Bonds4

About N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 71977898) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID71977898
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC NameN-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccc(S(C)=O)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2OS/c1-20(10-11-3-6-13(7-4-11)22(2)21)14-8-5-12(9-19-14)15(16,17)18/h3-9H,10H2,1-2H3
InChIKeyQWSSCJMSZMEGOI-UHFFFAOYSA-N
XLogP3.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 71977898) is N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CN(Cc1ccc(S(C)=O)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QWSSCJMSZMEGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-20(10-11-3-6-13(7-4-11)22(2)21)14-8-5-12(9-19-14)15(16,17)18/h3-9H,10H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 328.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71977898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).