N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine

C11H15F3N2OS — CID 133492021

IUPACN-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
SMILESCSC(C)(C)CNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2OS/c1-10(2,18-3)7-16-9-5-4-8(6-15-9)17-11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyHFZAYXUTTQGEDL-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.53
Rot. Bonds5

About N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine

N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 133492021) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID133492021
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
SMILESCSC(C)(C)CNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2OS/c1-10(2,18-3)7-16-9-5-4-8(6-15-9)17-11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyHFZAYXUTTQGEDL-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133487556
N-(1-methoxypropan-2-yl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488159
N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489757
N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine
CID 133489708
N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489388
N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 133488362
N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489068
2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine
CID 114280858
2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine
CID 146439449

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine (CID 133492021) is N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine is CSC(C)(C)CNc1ccc(OC(F)(F)F)cn1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is HFZAYXUTTQGEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-10(2,18-3)7-16-9-5-4-8(6-15-9)17-11(12,13)14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine?
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 280.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 133492021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).