8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

C13H18FNOS — CID 61289304

IUPAC8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1CC(C)S(=O)c2c(F)cccc21
InChIInChI=1S/C13H18FNOS/c1-3-7-15-12-8-9(2)17(16)13-10(12)5-4-6-11(13)14/h4-6,9,12,15H,3,7-8H2,1-2H3
InChIKeyLFGDYKDVSTWKJG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.77
Rot. Bonds3

About 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61289304) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61289304
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1CC(C)S(=O)c2c(F)cccc21
InChIInChI=1S/C13H18FNOS/c1-3-7-15-12-8-9(2)17(16)13-10(12)5-4-6-11(13)14/h4-6,9,12,15H,3,7-8H2,1-2H3
InChIKeyLFGDYKDVSTWKJG-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (CID 61289304) is 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is CCCNC1CC(C)S(=O)c2c(F)cccc21.
What is the InChIKey of 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is LFGDYKDVSTWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-3-7-15-12-8-9(2)17(16)13-10(12)5-4-6-11(13)14/h4-6,9,12,15H,3,7-8H2,1-2H3.
What are the key properties of 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 255.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61289304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).