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

C14H22N2O2S — CID 47371840

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O2S/c1-12(2)19(17,18)15-8-10-16-9-7-13-5-3-4-6-14(13)11-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyXEFNVJXRMAFERM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.37
Rot. Bonds5

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

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide (PubChem CID 47371840) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide
PubChem CID47371840
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O2S/c1-12(2)19(17,18)15-8-10-16-9-7-13-5-3-4-6-14(13)11-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyXEFNVJXRMAFERM-UHFFFAOYSA-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-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 35391328
2-(2-methylsulfonylethyl)-3,4-dihydro-1H-isoquinoline
CID 141217654
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methylbutanamide
CID 120502990
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 86928437
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 42428482
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 55611498
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 68967870
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-nitrobenzenesulfonamide
CID 19094007
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-propan-2-yloxybenzenesulfonamide
CID 21092272
1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine
CID 55085155

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide (CID 47371840) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCN1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide?
The InChIKey is XEFNVJXRMAFERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(2)19(17,18)15-8-10-16-9-7-13-5-3-4-6-14(13)11-16/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide 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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 47371840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).