N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide

C14H22N2O2S — CID 56790724

IUPACN-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
SMILESCCC1c2ccccc2CCN1CCNS(C)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-3-14-13-7-5-4-6-12(13)8-10-16(14)11-9-15-19(2,17)18/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyDCOULZSDDJGJQZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide

N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide (PubChem CID 56790724) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
PubChem CID56790724
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
SMILESCCC1c2ccccc2CCN1CCNS(C)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-3-14-13-7-5-4-6-12(13)8-10-16(14)11-9-15-19(2,17)18/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyDCOULZSDDJGJQZ-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide (CID 56790724) is N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide is CCC1c2ccccc2CCN1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide?
The InChIKey is DCOULZSDDJGJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-14-13-7-5-4-6-12(13)8-10-16(14)11-9-15-19(2,17)18/h4-7,14-15H,3,8-11H2,1-2H3.
What are the key properties of N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide?
N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 56790724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).