8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine

C12H15FN2S — CID 115008463

IUPAC8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
SMILESNC1c2cc(F)ccc2NC2CCSCC21
InChIInChI=1S/C12H15FN2S/c13-7-1-2-10-8(5-7)12(14)9-6-16-4-3-11(9)15-10/h1-2,5,9,11-12,15H,3-4,6,14H2
InChIKeyBFCKDEYKKJIAMW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.37
Rot. Bonds

About 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine

8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine (PubChem CID 115008463) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine.

Molecular Properties

Compound Name8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
PubChem CID115008463
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
SMILESNC1c2cc(F)ccc2NC2CCSCC21
InChIInChI=1S/C12H15FN2S/c13-7-1-2-10-8(5-7)12(14)9-6-16-4-3-11(9)15-10/h1-2,5,9,11-12,15H,3-4,6,14H2
InChIKeyBFCKDEYKKJIAMW-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
The IUPAC name of 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine (CID 115008463) is 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine.
What is the SMILES notation for 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
The canonical SMILES for 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine is NC1c2cc(F)ccc2NC2CCSCC21.
What is the InChIKey of 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
The InChIKey is BFCKDEYKKJIAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c13-7-1-2-10-8(5-7)12(14)9-6-16-4-3-11(9)15-10/h1-2,5,9,11-12,15H,3-4,6,14H2.
What are the key properties of 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine has a molecular weight of 238.33 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine is sourced from PubChem (CID 115008463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).