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

C12H16FNO2S — CID 117200940

IUPAC1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1Cc2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C12H16FNO2S/c1-8(14-2)5-11-7-9-6-10(13)3-4-12(9)17(11,15)16/h3-4,6,8,11,14H,5,7H2,1-2H3
InChIKeyCGIUCFVCSRTVNL-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.52
Rot. Bonds3

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

1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 117200940) 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-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine
PubChem CID117200940
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1Cc2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C12H16FNO2S/c1-8(14-2)5-11-7-9-6-10(13)3-4-12(9)17(11,15)16/h3-4,6,8,11,14H,5,7H2,1-2H3
InChIKeyCGIUCFVCSRTVNL-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine
CID 117201993
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117201926
1-(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117195195
6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43440318
(2R)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334375
(2S)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334377
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
1-[1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]-2-methylpropan-2-ol
CID 117200579
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117200941
1-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 105438205
2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 83149361
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 66364862

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine (CID 117200940) is 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine is CNC(C)CC1Cc2cc(F)ccc2S1(=O)=O.
What is the InChIKey of 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is CGIUCFVCSRTVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-8(14-2)5-11-7-9-6-10(13)3-4-12(9)17(11,15)16/h3-4,6,8,11,14H,5,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine?
1-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-2-amine has a molecular weight of 257.33 g/mol, XLogP of 1.52, 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-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117200940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).