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

C12H17F3N2O2S — CID 102709667

IUPACN,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNC(c1cnccc1C(F)(F)F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H17F3N2O2S/c1-11(2,20(4,18)19)10(16-3)8-7-17-6-5-9(8)12(13,14)15/h5-7,10,16H,1-4H3
InChIKeyRGNPVOLIJLEFRU-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.18
Rot. Bonds4

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

N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 102709667) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID102709667
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC NameN,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNC(c1cnccc1C(F)(F)F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H17F3N2O2S/c1-11(2,20(4,18)19)10(16-3)8-7-17-6-5-9(8)12(13,14)15/h5-7,10,16H,1-4H3
InChIKeyRGNPVOLIJLEFRU-UHFFFAOYSA-N
XLogP2.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102710024
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708571
[1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105335480
N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852186
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105038168
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096
N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 114222081
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
N-methyl-1-(1-methylcyclohexyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106830738

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine (CID 102709667) is N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine is CNC(c1cnccc1C(F)(F)F)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is RGNPVOLIJLEFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-11(2,20(4,18)19)10(16-3)8-7-17-6-5-9(8)12(13,14)15/h5-7,10,16H,1-4H3.
What are the key properties of N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 310.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 102709667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).