8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine

C13H16FNS2 — CID 103606076

IUPAC8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NC1CCSC1
InChIInChI=1S/C13H16FNS2/c14-11-3-1-2-10-12(5-7-17-13(10)11)15-9-4-6-16-8-9/h1-3,9,12,15H,4-8H2
InChIKeyXOLHPUBARZZAHJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.46
Rot. Bonds2

About 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 103606076) has the molecular formula C13H16FNS2 and a molecular weight of 269.41 g/mol. Its IUPAC name is 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID103606076
Molecular FormulaC13H16FNS2
Molecular Weight269.41 g/mol
Exact Mass269.07
IUPAC Name8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NC1CCSC1
InChIInChI=1S/C13H16FNS2/c14-11-3-1-2-10-12(5-7-17-13(10)11)15-9-4-6-16-8-9/h1-3,9,12,15H,4-8H2
InChIKeyXOLHPUBARZZAHJ-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine (CID 103606076) is 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2NC1CCSC1.
What is the InChIKey of 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is XOLHPUBARZZAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNS2/c14-11-3-1-2-10-12(5-7-17-13(10)11)15-9-4-6-16-8-9/h1-3,9,12,15H,4-8H2.
What are the key properties of 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 269.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 103606076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).