1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine

C11H12FNO2S — CID 117195195

IUPAC1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)C1=Cc2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C11H12FNO2S/c1-7(13-2)11-6-8-5-9(12)3-4-10(8)16(11,14)15/h3-7,13H,1-2H3
InChIKeyNMUHYUAYIVJFBV-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.56
Rot. Bonds2

About 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine

1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 117195195) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID117195195
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)C1=Cc2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C11H12FNO2S/c1-7(13-2)11-6-8-5-9(12)3-4-10(8)16(11,14)15/h3-7,13H,1-2H3
InChIKeyNMUHYUAYIVJFBV-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine (CID 117195195) is 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine is CNC(C)C1=Cc2cc(F)ccc2S1(=O)=O.
What is the InChIKey of 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is NMUHYUAYIVJFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c1-7(13-2)11-6-8-5-9(12)3-4-10(8)16(11,14)15/h3-7,13H,1-2H3.
What are the key properties of 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine?
1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 241.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 117195195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).