1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine

C14H19NO3S — CID 104518865

IUPAC1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine
SMILESCCc1oc2ccccc2c1C(N)C(C)S(C)(=O)=O
InChIInChI=1S/C14H19NO3S/c1-4-11-13(14(15)9(2)19(3,16)17)10-7-5-6-8-12(10)18-11/h5-9,14H,4,15H2,1-3H3
InChIKeyKAWWGQUMHPPKMF-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.43
Rot. Bonds4

About 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine

1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine (PubChem CID 104518865) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine
PubChem CID104518865
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine
SMILESCCc1oc2ccccc2c1C(N)C(C)S(C)(=O)=O
InChIInChI=1S/C14H19NO3S/c1-4-11-13(14(15)9(2)19(3,16)17)10-7-5-6-8-12(10)18-11/h5-9,14H,4,15H2,1-3H3
InChIKeyKAWWGQUMHPPKMF-UHFFFAOYSA-N
XLogP2.43
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine (CID 104518865) is 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine is CCc1oc2ccccc2c1C(N)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine?
The InChIKey is KAWWGQUMHPPKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-4-11-13(14(15)9(2)19(3,16)17)10-7-5-6-8-12(10)18-11/h5-9,14H,4,15H2,1-3H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine?
1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine has a molecular weight of 281.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104518865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).