1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine

C15H23NO3S — CID 104518674

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C(C)S(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-4-8-16-15(11(2)20(3,17)18)13-5-6-14-12(10-13)7-9-19-14/h5-6,10-11,15-16H,4,7-9H2,1-3H3
InChIKeyQGZYSTJOEDMQHG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.10
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 104518674) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
PubChem CID104518674
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C(C)S(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-4-8-16-15(11(2)20(3,17)18)13-5-6-14-12(10-13)7-9-19-14/h5-6,10-11,15-16H,4,7-9H2,1-3H3
InChIKeyQGZYSTJOEDMQHG-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518585
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518874
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(3,4-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518652
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine
CID 116761534

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine (CID 104518674) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine is CCCNC(c1ccc2c(c1)CCO2)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is QGZYSTJOEDMQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-8-16-15(11(2)20(3,17)18)13-5-6-14-12(10-13)7-9-19-14/h5-6,10-11,15-16H,4,7-9H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 104518674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).