2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline

C15H23NO3S — CID 110307849

IUPAC2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOCCS(=O)(=O)N1CCc2ccc(C(C)C)cc2C1
InChIInChI=1S/C15H23NO3S/c1-12(2)14-5-4-13-6-7-16(11-15(13)10-14)20(17,18)9-8-19-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyVYXBCEJVYMVGAN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.14
Rot. Bonds5

About 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline

2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 110307849) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID110307849
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOCCS(=O)(=O)N1CCc2ccc(C(C)C)cc2C1
InChIInChI=1S/C15H23NO3S/c1-12(2)14-5-4-13-6-7-16(11-15(13)10-14)20(17,18)9-8-19-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyVYXBCEJVYMVGAN-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole
CID 176666425
4-propan-2-yl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926681
2-(2-methoxyethylsulfonyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 55014169
1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamine
CID 82175784
1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanol
CID 82175792
N-[3-ethyl-1-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]pentan-2-yl]-N-hydroxyformamide
CID 16660451
4-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]butanoic acid
CID 146092738
benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84511536
methyl N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamate
CID 16931048
1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one
CID 110288865
acetaldehyde;ethane;2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 176703540
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 110307849) is 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline is COCCS(=O)(=O)N1CCc2ccc(C(C)C)cc2C1.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VYXBCEJVYMVGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(2)14-5-4-13-6-7-16(11-15(13)10-14)20(17,18)9-8-19-3/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 297.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110307849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).