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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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).