1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine

C12H16FNO2S — CID 117201993

IUPAC1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1CS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C12H16FNO2S/c1-8(14-2)5-9-7-17(15,16)12-4-3-10(13)6-11(9)12/h3-4,6,8-9,14H,5,7H2,1-2H3
InChIKeyFLZNZJYGUDZRTA-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.69
Rot. Bonds3

About 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine

1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine (PubChem CID 117201993) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine
PubChem CID117201993
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1CS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C12H16FNO2S/c1-8(14-2)5-9-7-17(15,16)12-4-3-10(13)6-11(9)12/h3-4,6,8-9,14H,5,7H2,1-2H3
InChIKeyFLZNZJYGUDZRTA-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.69
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-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine (CID 117201993) is 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine is CNC(C)CC1CS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine?
The InChIKey is FLZNZJYGUDZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-8(14-2)5-9-7-17(15,16)12-4-3-10(13)6-11(9)12/h3-4,6,8-9,14H,5,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine?
1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine has a molecular weight of 257.33 g/mol, XLogP of 1.69, 3 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-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117201993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).