8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline

C13H19NO2S — CID 58777927

IUPAC8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1CN(S(=O)(=O)C(C)C)CC2
InChIInChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-8-7-12-6-4-5-11(3)13(12)9-14/h4-6,10H,7-9H2,1-3H3
InChIKeyBJDRTRFYMLFFGK-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.09
Rot. Bonds2

About 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline

8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 58777927) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
PubChem CID58777927
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1CN(S(=O)(=O)C(C)C)CC2
InChIInChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-8-7-12-6-4-5-11(3)13(12)9-14/h4-6,10H,7-9H2,1-3H3
InChIKeyBJDRTRFYMLFFGK-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methyl-2-propan-2-ylsulfonyl-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

8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175983212
1-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58777842
2-propan-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 61355681
8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 64591215
8-fluoro-2-(1-methoxybutan-2-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 138047363
ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 144801740
5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110456721
2-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279835
(2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide
CID 99840563
2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methylaniline
CID 43452422
2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523604
2-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 39616919

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline (CID 58777927) is 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline is Cc1cccc2c1CN(S(=O)(=O)C(C)C)CC2.
What is the InChIKey of 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is BJDRTRFYMLFFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-8-7-12-6-4-5-11(3)13(12)9-14/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 253.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 58777927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).