N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C14H21N3O2S — CID 115301347

IUPACN-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESNC(CNS(=O)(=O)N1CCc2ccccc2C1)C1CC1
InChIInChI=1S/C14H21N3O2S/c15-14(12-5-6-12)9-16-20(18,19)17-8-7-11-3-1-2-4-13(11)10-17/h1-4,12,14,16H,5-10,15H2
InChIKeyJEWYSZPSNRYBBD-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.62
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 115301347) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID115301347
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESNC(CNS(=O)(=O)N1CCc2ccccc2C1)C1CC1
InChIInChI=1S/C14H21N3O2S/c15-14(12-5-6-12)9-16-20(18,19)17-8-7-11-3-1-2-4-13(11)10-17/h1-4,12,14,16H,5-10,15H2
InChIKeyJEWYSZPSNRYBBD-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

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Related Compounds

1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462300
1,2,3,4-Tetrahydroisoquinoline-2-sulfonamide
CID 14787907
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462302
2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine
CID 40742
1-(Aminomethyl)-1,2,3,4-tetrahydroisoquinoline dihydrochloride
CID 2851643
1-Isopropyl-1,2,3,4-tetrahydroisoquinoline
CID 583452
US11091488, Example 62
CID 129187423
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide
CID 13074428
(2R,11bS)-2-[methyl(methylsulfamoyl)amino]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 13217504
(2R,11bS)-2-[methyl(sulfamoyl)amino]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 13217514

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 115301347) is N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is NC(CNS(=O)(=O)N1CCc2ccccc2C1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is JEWYSZPSNRYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-14(12-5-6-12)9-16-20(18,19)17-8-7-11-3-1-2-4-13(11)10-17/h1-4,12,14,16H,5-10,15H2.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 115301347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).