1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine

C13H19NO2S — CID 81189992

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine
SMILESCC(N)CS(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO2S/c1-10(14)9-17(15)7-5-11-2-3-13-12(8-11)4-6-16-13/h2-3,8,10H,4-7,9,14H2,1H3
InChIKeyMQEMSFAGSLGCAQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.26
Rot. Bonds5

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine (PubChem CID 81189992) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine
PubChem CID81189992
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine
SMILESCC(N)CS(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO2S/c1-10(14)9-17(15)7-5-11-2-3-13-12(8-11)4-6-16-13/h2-3,8,10H,4-7,9,14H2,1H3
InChIKeyMQEMSFAGSLGCAQ-UHFFFAOYSA-N
XLogP1.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]butanoic acid
CID 66114817
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine
CID 81195482
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490999
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
CID 116553577
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]-5-methylaniline
CID 81176495
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-amine
CID 115864525
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]-5-fluoroaniline
CID 81185747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine (CID 81189992) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine is CC(N)CS(=O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine?
The InChIKey is MQEMSFAGSLGCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(14)9-17(15)7-5-11-2-3-13-12(8-11)4-6-16-13/h2-3,8,10H,4-7,9,14H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine has a molecular weight of 253.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine is sourced from PubChem (CID 81189992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).