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

C15H22FNO2S — CID 43440318

IUPAC6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)CC(C)NC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C15H22FNO2S/c1-10(2)8-11(3)17-14-6-7-20(18,19)15-5-4-12(16)9-13(14)15/h4-5,9-11,14,17H,6-8H2,1-3H3
InChIKeyAEUKHLPOCYYOOC-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.07
Rot. Bonds4

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

6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43440318) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43440318
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)CC(C)NC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C15H22FNO2S/c1-10(2)8-11(3)17-14-6-7-20(18,19)15-5-4-12(16)9-13(14)15/h4-5,9-11,14,17H,6-8H2,1-3H3
InChIKeyAEUKHLPOCYYOOC-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 43440318) is 6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is CC(C)CC(C)NC1CCS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is AEUKHLPOCYYOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-10(2)8-11(3)17-14-6-7-20(18,19)15-5-4-12(16)9-13(14)15/h4-5,9-11,14,17H,6-8H2,1-3H3.
What are the key properties of 6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 299.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43440318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).