2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone

C13H15NO2S — CID 116609593

IUPAC2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CSCCN1
InChIInChI=1S/C13H15NO2S/c15-13(11-8-17-6-4-14-11)10-1-2-12-9(7-10)3-5-16-12/h1-2,7,11,14H,3-6,8H2
InChIKeySRSCAYSZRRLHBI-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.51
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone

2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone (PubChem CID 116609593) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
PubChem CID116609593
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CSCCN1
InChIInChI=1S/C13H15NO2S/c15-13(11-8-17-6-4-14-11)10-1-2-12-9(7-10)3-5-16-12/h1-2,7,11,14H,3-6,8H2
InChIKeySRSCAYSZRRLHBI-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
2,3-dihydro-1-benzofuran-5-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945875
2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone
CID 62799399
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598214
9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945869
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone
CID 103456024
2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone
CID 102652614
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanone
CID 64866803
(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
CID 114607772
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone (CID 116609593) is 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone is O=C(c1ccc2c(c1)CCO2)C1CSCCN1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone?
The InChIKey is SRSCAYSZRRLHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-13(11-8-17-6-4-14-11)10-1-2-12-9(7-10)3-5-16-12/h1-2,7,11,14H,3-6,8H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone has a molecular weight of 249.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone is sourced from PubChem (CID 116609593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).