N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide

C13H19N3O3S — CID 61467547

IUPACN-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C13H19N3O3S/c1-9(13(17)14-2)16-20(18,19)12-5-3-4-10-8-15-7-6-11(10)12/h3-5,9,15-16H,6-8H2,1-2H3,(H,14,17)
InChIKeyHLRGNWFBNFCTDY-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.25
Rot. Bonds4

About N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide

N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide (PubChem CID 61467547) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide
PubChem CID61467547
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C13H19N3O3S/c1-9(13(17)14-2)16-20(18,19)12-5-3-4-10-8-15-7-6-11(10)12/h3-5,9,15-16H,6-8H2,1-2H3,(H,14,17)
InChIKeyHLRGNWFBNFCTDY-UHFFFAOYSA-N
XLogP-0.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
CID 110209411
N-methyl-2-(1,2,3,4-tetrahydroquinolin-5-ylsulfonylamino)propanamide
CID 104773820
N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 82939246
1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
CID 112756658
N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 83016408
N-(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 43591485
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
N-methyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62159401
N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 80713947
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 61452422
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide
CID 103981826
4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide?
The IUPAC name of N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide (CID 61467547) is N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide.
What is the SMILES notation for N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide?
The canonical SMILES for N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide is CNC(=O)C(C)NS(=O)(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide?
The InChIKey is HLRGNWFBNFCTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(13(17)14-2)16-20(18,19)12-5-3-4-10-8-15-7-6-11(10)12/h3-5,9,15-16H,6-8H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide?
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide has a molecular weight of 297.38 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonylamino)propanamide is sourced from PubChem (CID 61467547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).