N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine

C14H19FN2O2S — CID 83006782

IUPACN-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine
SMILESO=S1(=O)CCC(NN2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C14H19FN2O2S/c15-11-4-5-14-12(10-11)13(6-9-20(14,18)19)16-17-7-2-1-3-8-17/h4-5,10,13,16H,1-3,6-9H2
InChIKeyFQOLWXFDXMBFAB-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.03
Rot. Bonds2

About N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine

N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine (PubChem CID 83006782) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine.

Molecular Properties

Compound NameN-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine
PubChem CID83006782
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine
SMILESO=S1(=O)CCC(NN2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C14H19FN2O2S/c15-11-4-5-14-12(10-11)13(6-9-20(14,18)19)16-17-7-2-1-3-8-17/h4-5,10,13,16H,1-3,6-9H2
InChIKeyFQOLWXFDXMBFAB-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine?
The IUPAC name of N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine (CID 83006782) is N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine.
What is the SMILES notation for N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine?
The canonical SMILES for N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine is O=S1(=O)CCC(NN2CCCCC2)c2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine?
The InChIKey is FQOLWXFDXMBFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-11-4-5-14-12(10-11)13(6-9-20(14,18)19)16-17-7-2-1-3-8-17/h4-5,10,13,16H,1-3,6-9H2.
What are the key properties of N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine?
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine has a molecular weight of 298.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)piperidin-1-amine is sourced from PubChem (CID 83006782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).