4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine

C12H15F3N2S — CID 106748815

IUPAC4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1SCC1CCCC1
InChIInChI=1S/C12H15F3N2S/c13-12(14,15)11-5-10(9(16)6-17-11)18-7-8-3-1-2-4-8/h5-6,8H,1-4,7,16H2
InChIKeyNSFGCRVEJWSYRG-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.96
Rot. Bonds3

About 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine

4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106748815) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106748815
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1SCC1CCCC1
InChIInChI=1S/C12H15F3N2S/c13-12(14,15)11-5-10(9(16)6-17-11)18-7-8-3-1-2-4-8/h5-6,8H,1-4,7,16H2
InChIKeyNSFGCRVEJWSYRG-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentylsulfanyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748813
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747423
5-chloro-2-(cyclopentylmethylsulfanyl)-4-fluoroaniline
CID 66076568
4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 104866691
[6-amino-5-(cyclopentylmethylsulfanyl)-3-pyridinyl]boronic acid
CID 164859944
2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine
CID 66278717
[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
CID 106747257
4-(2-cyclopentylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747600
6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 106748835
4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748723
4-(cyclopentylmethylsulfanyl)-5-fluoropyrimidin-2-amine
CID 80889692

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine (CID 106748815) is 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine is Nc1cnc(C(F)(F)F)cc1SCC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is NSFGCRVEJWSYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S/c13-12(14,15)11-5-10(9(16)6-17-11)18-7-8-3-1-2-4-8/h5-6,8H,1-4,7,16H2.
What are the key properties of 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine?
4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 276.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106748815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).