N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C15H19N3O3S — CID 75462254

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H19N3O3S/c1-11-15(12(2)21-17-11)9-16-22(19,20)18-8-7-13-5-3-4-6-14(13)10-18/h3-6,16H,7-10H2,1-2H3
InChIKeyRMIQBSUFDWIXGF-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.68
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 75462254) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID75462254
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H19N3O3S/c1-11-15(12(2)21-17-11)9-16-22(19,20)18-8-7-13-5-3-4-6-14(13)10-18/h3-6,16H,7-10H2,1-2H3
InChIKeyRMIQBSUFDWIXGF-UHFFFAOYSA-N
XLogP1.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 31701157
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 61021543
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-2-amine
CID 95228083
3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
CID 157019503
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731013
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzenesulfonamide
CID 79238145
N-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 71889803
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-methylpropanoic acid
CID 62675363
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427470
N-(2,3-dihydroxy-2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 66169504
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 55542982
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 97002013

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 75462254) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is Cc1noc(C)c1CNS(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is RMIQBSUFDWIXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-15(12(2)21-17-11)9-16-22(19,20)18-8-7-13-5-3-4-6-14(13)10-18/h3-6,16H,7-10H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 75462254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).