N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine

C10H11F3N2S — CID 103704298

IUPACN-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NC1CCSC1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)8-2-1-4-14-9(8)15-7-3-5-16-6-7/h1-2,4,7H,3,5-6H2,(H,14,15)
InChIKeyOBWBMTAVUMVZQI-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.02
Rot. Bonds2

About N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine

N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 103704298) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID103704298
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC NameN-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NC1CCSC1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)8-2-1-4-14-9(8)15-7-3-5-16-6-7/h1-2,4,7H,3,5-6H2,(H,14,15)
InChIKeyOBWBMTAVUMVZQI-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 63922973
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 63041886
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 62397155
3-chloro-N-(thiolan-3-yl)pyrazin-2-amine
CID 103064284
2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 72873766
N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133377933
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43132893
N-[2-(trifluoromethyl)phenyl]thian-4-amine
CID 43511244
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43192848
N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine
CID 114179338
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol
CID 133496229

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 103704298) is N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NC1CCSC1.
What is the InChIKey of N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OBWBMTAVUMVZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c11-10(12,13)8-2-1-4-14-9(8)15-7-3-5-16-6-7/h1-2,4,7H,3,5-6H2,(H,14,15).
What are the key properties of N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 248.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103704298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).