N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

C11H16N2O3S — CID 62688441

IUPACN-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O3S/c1-13(6-5-12)17(14,15)10-2-3-11-9(8-10)4-7-16-11/h2-3,8H,4-7,12H2,1H3
InChIKeyXAYGAOFFIFVLSD-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.20
Rot. Bonds4

About N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 62688441) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID62688441
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O3S/c1-13(6-5-12)17(14,15)10-2-3-11-9(8-10)4-7-16-11/h2-3,8H,4-7,12H2,1H3
InChIKeyXAYGAOFFIFVLSD-UHFFFAOYSA-N
XLogP0.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 79701893
N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 78793283
2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855219
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55873119
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 120895832
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65192981

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 62688441) is N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is CN(CCN)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is XAYGAOFFIFVLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13(6-5-12)17(14,15)10-2-3-11-9(8-10)4-7-16-11/h2-3,8H,4-7,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 62688441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).