N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C11H14FNO2S — CID 43440249

IUPACN-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C11H14FNO2S/c1-2-13-10-5-6-16(14,15)11-4-3-8(12)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3
InChIKeyXSNSTCGEVAIUAL-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.65
Rot. Bonds2

About N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43440249) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43440249
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC NameN-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C11H14FNO2S/c1-2-13-10-5-6-16(14,15)11-4-3-8(12)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3
InChIKeyXSNSTCGEVAIUAL-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 43440249) is N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is CCNC1CCS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is XSNSTCGEVAIUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-2-13-10-5-6-16(14,15)11-4-3-8(12)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3.
What are the key properties of N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 243.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43440249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).