N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide

C11H16N2O2S — CID 10586141

IUPACN-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc2c(c1)CNCC2
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-7-9-2-3-10-4-5-12-8-11(10)6-9/h2-3,6,12-13H,4-5,7-8H2,1H3
InChIKeyUMOYIPAUEYZTAT-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.38
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide

N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide (PubChem CID 10586141) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide
PubChem CID10586141
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc2c(c1)CNCC2
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-7-9-2-3-10-4-5-12-8-11(10)6-9/h2-3,6,12-13H,4-5,7-8H2,1H3
InChIKeyUMOYIPAUEYZTAT-UHFFFAOYSA-N
XLogP0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide (CID 10586141) is N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide is CS(=O)(=O)NCc1ccc2c(c1)CNCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide?
The InChIKey is UMOYIPAUEYZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)13-7-9-2-3-10-4-5-12-8-11(10)6-9/h2-3,6,12-13H,4-5,7-8H2,1H3.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide?
N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)methanesulfonamide is sourced from PubChem (CID 10586141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).