4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine

C14H21NO3S — CID 81195482

IUPAC4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine
SMILESCC(N)CCS(=O)(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO3S/c1-11(15)5-8-19(16,17)9-6-12-2-3-14-13(10-12)4-7-18-14/h2-3,10-11H,4-9,15H2,1H3
InChIKeyFPJRHUZXBWVBPH-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.32
Rot. Bonds6

About 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine

4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine (PubChem CID 81195482) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine
PubChem CID81195482
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine
SMILESCC(N)CCS(=O)(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO3S/c1-11(15)5-8-19(16,17)9-6-12-2-3-14-13(10-12)4-7-18-14/h2-3,10-11H,4-9,15H2,1H3
InChIKeyFPJRHUZXBWVBPH-UHFFFAOYSA-N
XLogP1.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-methylsulfonylpentan-3-amine
CID 115864525
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine
CID 81189992
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
[1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylsulfonylpentan-3-yl]hydrazine
CID 105310444
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl-methylamino]propanoic acid
CID 122068972
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 115802823
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490999
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine?
The IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine (CID 81195482) is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine.
What is the SMILES notation for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine?
The canonical SMILES for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine is CC(N)CCS(=O)(=O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine?
The InChIKey is FPJRHUZXBWVBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(15)5-8-19(16,17)9-6-12-2-3-14-13(10-12)4-7-18-14/h2-3,10-11H,4-9,15H2,1H3.
What are the key properties of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine?
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine is sourced from PubChem (CID 81195482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).