7-methyl-6-methylsulfonylisoquinolin-1-amine

C11H12N2O2S — CID 20773271

IUPAC7-methyl-6-methylsulfonylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2cc1S(C)(=O)=O
InChIInChI=1S/C11H12N2O2S/c1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15/h3-6H,1-2H3,(H2,12,13)
InChIKeySMCRCTROWRPNKL-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.53
Rot. Bonds1

About 7-methyl-6-methylsulfonylisoquinolin-1-amine

7-methyl-6-methylsulfonylisoquinolin-1-amine (PubChem CID 20773271) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 7-methyl-6-methylsulfonylisoquinolin-1-amine.

Molecular Properties

Compound Name7-methyl-6-methylsulfonylisoquinolin-1-amine
PubChem CID20773271
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name7-methyl-6-methylsulfonylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2cc1S(C)(=O)=O
InChIInChI=1S/C11H12N2O2S/c1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15/h3-6H,1-2H3,(H2,12,13)
InChIKeySMCRCTROWRPNKL-UHFFFAOYSA-N
XLogP1.53
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-methylsulfonylisoquinolin-1-amine?
The IUPAC name of 7-methyl-6-methylsulfonylisoquinolin-1-amine (CID 20773271) is 7-methyl-6-methylsulfonylisoquinolin-1-amine.
What is the SMILES notation for 7-methyl-6-methylsulfonylisoquinolin-1-amine?
The canonical SMILES for 7-methyl-6-methylsulfonylisoquinolin-1-amine is Cc1cc2c(N)nccc2cc1S(C)(=O)=O.
What is the InChIKey of 7-methyl-6-methylsulfonylisoquinolin-1-amine?
The InChIKey is SMCRCTROWRPNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 7-methyl-6-methylsulfonylisoquinolin-1-amine?
7-methyl-6-methylsulfonylisoquinolin-1-amine has a molecular weight of 236.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-methylsulfonylisoquinolin-1-amine is sourced from PubChem (CID 20773271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).