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

C17H24FNS — CID 64739918

IUPACN-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCC(NC2CCSc3c(F)cccc32)CC1C
InChIInChI=1S/C17H24FNS/c1-11-6-7-13(10-12(11)2)19-16-8-9-20-17-14(16)4-3-5-15(17)18/h3-5,11-13,16,19H,6-10H2,1-2H3
InChIKeyAGBWMUUSSNCFRI-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.78
Rot. Bonds2

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

N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 64739918) has the molecular formula C17H24FNS and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID64739918
Molecular FormulaC17H24FNS
Molecular Weight293.45 g/mol
Exact Mass293.16
IUPAC NameN-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCC(NC2CCSc3c(F)cccc32)CC1C
InChIInChI=1S/C17H24FNS/c1-11-6-7-13(10-12(11)2)19-16-8-9-20-17-14(16)4-3-5-15(17)18/h3-5,11-13,16,19H,6-10H2,1-2H3
InChIKeyAGBWMUUSSNCFRI-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (CID 64739918) is N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is CC1CCC(NC2CCSc3c(F)cccc32)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is AGBWMUUSSNCFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNS/c1-11-6-7-13(10-12(11)2)19-16-8-9-20-17-14(16)4-3-5-15(17)18/h3-5,11-13,16,19H,6-10H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 293.45 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 64739918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).