6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine

C13H19NO4S — CID 106722241

IUPAC6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)S(=O)(=O)CCOc1ccc2c(c1)OCC2N
InChIInChI=1S/C13H19NO4S/c1-9(2)19(15,16)6-5-17-10-3-4-11-12(14)8-18-13(11)7-10/h3-4,7,9,12H,5-6,8,14H2,1-2H3
InChIKeyJXYFKTTVMHFBHB-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.28
Rot. Bonds5

About 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine

6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 106722241) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID106722241
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)S(=O)(=O)CCOc1ccc2c(c1)OCC2N
InChIInChI=1S/C13H19NO4S/c1-9(2)19(15,16)6-5-17-10-3-4-11-12(14)8-18-13(11)7-10/h3-4,7,9,12H,5-6,8,14H2,1-2H3
InChIKeyJXYFKTTVMHFBHB-UHFFFAOYSA-N
XLogP1.28
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63190974
2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
CID 130038415
6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097070
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
CID 63097258
N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095519
6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 114527225
6-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107911089
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide
CID 63094789
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide
CID 63095489
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097077
2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721688
6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096549

Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 106722241) is 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine is CC(C)S(=O)(=O)CCOc1ccc2c(c1)OCC2N.
What is the InChIKey of 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JXYFKTTVMHFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-9(2)19(15,16)6-5-17-10-3-4-11-12(14)8-18-13(11)7-10/h3-4,7,9,12H,5-6,8,14H2,1-2H3.
What are the key properties of 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 285.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 106722241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).