N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C13H20N2O3S — CID 65192981

IUPACN-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(C)C(CN)NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H20N2O3S/c1-9(2)12(8-14)15-19(16,17)11-3-4-13-10(7-11)5-6-18-13/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3
InChIKeyRRJCRZZBXGTERR-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.88
Rot. Bonds5

About N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 65192981) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID65192981
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(C)C(CN)NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H20N2O3S/c1-9(2)12(8-14)15-19(16,17)11-3-4-13-10(7-11)5-6-18-13/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3
InChIKeyRRJCRZZBXGTERR-UHFFFAOYSA-N
XLogP0.88
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-(1-hydroxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43501667
N-[(2S)-1-hydroxybutan-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104981893
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807871
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65191054
N-[1-(3-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51249276
N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 103836253
N-(1-hydroxy-3-methylbutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 79247471
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 103861269
2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855219
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 65192569

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 65192981) is N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CC(C)C(CN)NS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is RRJCRZZBXGTERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)12(8-14)15-19(16,17)11-3-4-13-10(7-11)5-6-18-13/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3.
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 65192981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).