(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

C11H15NO3S — CID 10331921

IUPAC(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESCS(=O)(=O)c1ccc2c(c1)CNC(CO)C2
InChIInChI=1S/C11H15NO3S/c1-16(14,15)11-3-2-8-4-10(7-13)12-6-9(8)5-11/h2-3,5,10,12-13H,4,6-7H2,1H3
InChIKeyWOWGEBWXJOUBNT-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.10
Rot. Bonds2

About (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (PubChem CID 10331921) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
PubChem CID10331921
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESCS(=O)(=O)c1ccc2c(c1)CNC(CO)C2
InChIInChI=1S/C11H15NO3S/c1-16(14,15)11-3-2-8-4-10(7-13)12-6-9(8)5-11/h2-3,5,10,12-13H,4,6-7H2,1H3
InChIKeyWOWGEBWXJOUBNT-UHFFFAOYSA-N
XLogP0.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The IUPAC name of (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (CID 10331921) is (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.
What is the SMILES notation for (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The canonical SMILES for (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is CS(=O)(=O)c1ccc2c(c1)CNC(CO)C2.
What is the InChIKey of (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The InChIKey is WOWGEBWXJOUBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-16(14,15)11-3-2-8-4-10(7-13)12-6-9(8)5-11/h2-3,5,10,12-13H,4,6-7H2,1H3.
What are the key properties of (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol has a molecular weight of 241.31 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is sourced from PubChem (CID 10331921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).