6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine

C15H23NO4S — CID 63095875

IUPAC6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2cc(OCCS(=O)(=O)CC)ccc21
InChIInChI=1S/C15H23NO4S/c1-3-7-16-14-11-20-15-10-12(5-6-13(14)15)19-8-9-21(17,18)4-2/h5-6,10,14,16H,3-4,7-9,11H2,1-2H3
InChIKeyNGOZDRDNSUKZAW-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.93
Rot. Bonds8

About 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine

6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63095875) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63095875
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2cc(OCCS(=O)(=O)CC)ccc21
InChIInChI=1S/C15H23NO4S/c1-3-7-16-14-11-20-15-10-12(5-6-13(14)15)19-8-9-21(17,18)4-2/h5-6,10,14,16H,3-4,7-9,11H2,1-2H3
InChIKeyNGOZDRDNSUKZAW-UHFFFAOYSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 63095875) is 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1COc2cc(OCCS(=O)(=O)CC)ccc21.
What is the InChIKey of 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is NGOZDRDNSUKZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-7-16-14-11-20-15-10-12(5-6-13(14)15)19-8-9-21(17,18)4-2/h5-6,10,14,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 313.42 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63095875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).