1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine

C11H15NO3S — CID 105053313

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)c1cccc2c1OCC2
InChIInChI=1S/C11H15NO3S/c1-16(13,14)7-10(12)9-4-2-3-8-5-6-15-11(8)9/h2-4,10H,5-7,12H2,1H3
InChIKeyRCNIAMNHDIPJMX-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.67
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine (PubChem CID 105053313) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine
PubChem CID105053313
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)c1cccc2c1OCC2
InChIInChI=1S/C11H15NO3S/c1-16(13,14)7-10(12)9-4-2-3-8-5-6-15-11(8)9/h2-4,10H,5-7,12H2,1H3
InChIKeyRCNIAMNHDIPJMX-UHFFFAOYSA-N
XLogP0.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine
CID 114745726
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanamine
CID 114744900
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine
CID 114745088
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114745488

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine (CID 105053313) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine is CS(=O)(=O)CC(N)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine?
The InChIKey is RCNIAMNHDIPJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-16(13,14)7-10(12)9-4-2-3-8-5-6-15-11(8)9/h2-4,10H,5-7,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine has a molecular weight of 241.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine is sourced from PubChem (CID 105053313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).