N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine

C13H17F3N2S — CID 103804882

IUPACN-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCCSC1CCCC1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2S/c1-2-19-11-5-3-4-10(11)18-12-7-6-9(8-17-12)13(14,15)16/h6-8,10-11H,2-5H2,1H3,(H,17,18)
InChIKeyBVKFQISYBCDLOF-UHFFFAOYSA-N
MW290.35 g/mol
LogP4.19
Rot. Bonds4

About N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine

N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 103804882) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID103804882
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCCSC1CCCC1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2S/c1-2-19-11-5-3-4-10(11)18-12-7-6-9(8-17-12)13(14,15)16/h6-8,10-11H,2-5H2,1H3,(H,17,18)
InChIKeyBVKFQISYBCDLOF-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
4-chloro-5-[(2-ethylsulfanylcyclopentyl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133357243
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893
4-chloro-5-[[(1S,2S)-2-ethylsulfanylcyclohexyl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 96529577
N-(4-ethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 63540704
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 103725102
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118326054
4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 167479090
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
2-N-ethyl-6-N-(2-ethylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122162
N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine
CID 64621703

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine (CID 103804882) is N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine is CCSC1CCCC1Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BVKFQISYBCDLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2S/c1-2-19-11-5-3-4-10(11)18-12-7-6-9(8-17-12)13(14,15)16/h6-8,10-11H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 290.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103804882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).