N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine

C11H15F3N2O2S — CID 102710024

IUPACN-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNC(c1cnccc1C(F)(F)F)C(C)S(C)(=O)=O
InChIInChI=1S/C11H15F3N2O2S/c1-7(19(3,17)18)10(15-2)8-6-16-5-4-9(8)11(12,13)14/h4-7,10,15H,1-3H3
InChIKeyMHXKQANPZNFQEE-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine

N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 102710024) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID102710024
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNC(c1cnccc1C(F)(F)F)C(C)S(C)(=O)=O
InChIInChI=1S/C11H15F3N2O2S/c1-7(19(3,17)18)10(15-2)8-6-16-5-4-9(8)11(12,13)14/h4-7,10,15H,1-3H3
InChIKeyMHXKQANPZNFQEE-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 114222081
N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709667
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
[2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710327
N-methyl-1-(1-methylcyclohexyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106830738
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708230
[2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]hexyl]hydrazine
CID 114247323

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine (CID 102710024) is N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine is CNC(c1cnccc1C(F)(F)F)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is MHXKQANPZNFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-7(19(3,17)18)10(15-2)8-6-16-5-4-9(8)11(12,13)14/h4-7,10,15H,1-3H3.
What are the key properties of N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 296.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 102710024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).