N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

C13H21N3O2S — CID 114807566

IUPACN-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCC(C)(C)NS(=O)(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)16-19(17,18)15-12-6-4-5-10-7-8-14-9-11(10)12/h4-6,14-16H,7-9H2,1-3H3
InChIKeyAPGSIVIZODXWEQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.38
Rot. Bonds3

About N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 114807566) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID114807566
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCC(C)(C)NS(=O)(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)16-19(17,18)15-12-6-4-5-10-7-8-14-9-11(10)12/h4-6,14-16H,7-9H2,1-3H3
InChIKeyAPGSIVIZODXWEQ-UHFFFAOYSA-N
XLogP1.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959099
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1-benzothiophene-3-sulfonamide;hydrochloride
CID 67984380
5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide
CID 114491078
4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide
CID 106315484
5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide
CID 114491132
5-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959084
1-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 82842529
2-(tert-butylsulfamoylamino)benzonitrile
CID 114807626
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
CID 21271748
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 43808517
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 114807566) is N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is CC(C)(C)NS(=O)(=O)Nc1cccc2c1CNCC2.
What is the InChIKey of N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is APGSIVIZODXWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(2,3)16-19(17,18)15-12-6-4-5-10-7-8-14-9-11(10)12/h4-6,14-16H,7-9H2,1-3H3.
What are the key properties of N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 283.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 114807566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).