N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide

C14H22N2O2S — CID 94060161

IUPACN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](C)N1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)15-10-12(2)16-9-8-13-6-4-5-7-14(13)11-16/h4-7,12,15H,3,8-11H2,1-2H3/t12-/m1/s1
InChIKeyYEEPXAMZNJNZTM-GFCCVEGCSA-N
MW282.41 g/mol
LogP1.37
Rot. Bonds5

About N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide (PubChem CID 94060161) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide
PubChem CID94060161
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](C)N1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)15-10-12(2)16-9-8-13-6-4-5-7-14(13)11-16/h4-7,12,15H,3,8-11H2,1-2H3/t12-/m1/s1
InChIKeyYEEPXAMZNJNZTM-GFCCVEGCSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]ethanesulfonamide
CID 131930702
4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
CID 134006879
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-fluorobenzenesulfonamide
CID 134006875
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 35608543
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide
CID 134006882
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine
CID 55070081
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438280

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide?
The IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide (CID 94060161) is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide?
The canonical SMILES for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide is CCS(=O)(=O)NC[C@@H](C)N1CCc2ccccc2C1.
What is the InChIKey of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide?
The InChIKey is YEEPXAMZNJNZTM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)15-10-12(2)16-9-8-13-6-4-5-7-14(13)11-16/h4-7,12,15H,3,8-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide?
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 94060161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).