N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine

C11H15F3N2OS — CID 115715774

IUPACN-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(CCNc1cc(C(F)(F)F)ccn1)S(C)=O
InChIInChI=1S/C11H15F3N2OS/c1-8(18(2)17)3-5-15-10-7-9(4-6-16-10)11(12,13)14/h4,6-8H,3,5H2,1-2H3,(H,15,16)
InChIKeyOHBJWSFLWQKXLM-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.67
Rot. Bonds5

About N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine

N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 115715774) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID115715774
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC NameN-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(CCNc1cc(C(F)(F)F)ccn1)S(C)=O
InChIInChI=1S/C11H15F3N2OS/c1-8(18(2)17)3-5-15-10-7-9(4-6-16-10)11(12,13)14/h4,6-8H,3,5H2,1-2H3,(H,15,16)
InChIKeyOHBJWSFLWQKXLM-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
6-chloro-N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716198
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
CID 114151133
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
3-methylsulfinyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 115711616
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776163
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
2-bromo-N-(3-methylsulfinylbutyl)-5-(trifluoromethyl)benzamide
CID 115742493

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine (CID 115715774) is N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine is CC(CCNc1cc(C(F)(F)F)ccn1)S(C)=O.
What is the InChIKey of N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OHBJWSFLWQKXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-8(18(2)17)3-5-15-10-7-9(4-6-16-10)11(12,13)14/h4,6-8H,3,5H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 280.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115715774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).