6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C15H18N2O4S2 — CID 56807771

IUPAC6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCOc1cc2c(cc1OC)C(c1cccs1)N(S(N)(=O)=O)CC2
InChIInChI=1S/C15H18N2O4S2/c1-20-12-8-10-5-6-17(23(16,18)19)15(14-4-3-7-22-14)11(10)9-13(12)21-2/h3-4,7-9,15H,5-6H2,1-2H3,(H2,16,18,19)
InChIKeyKQGXFAJUIQZKRI-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.92
Rot. Bonds4

About 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 56807771) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID56807771
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCOc1cc2c(cc1OC)C(c1cccs1)N(S(N)(=O)=O)CC2
InChIInChI=1S/C15H18N2O4S2/c1-20-12-8-10-5-6-17(23(16,18)19)15(14-4-3-7-22-14)11(10)9-13(12)21-2/h3-4,7-9,15H,5-6H2,1-2H3,(H2,16,18,19)
InChIKeyKQGXFAJUIQZKRI-UHFFFAOYSA-N
XLogP1.92
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide
CID 40844482
1-(4-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 44574250
1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 45378229
(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 3250273
1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanylethanone
CID 112793874
1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 51252857
6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
CID 23919112
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 41080918
(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone
CID 119268461
4-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid
CID 124564392
5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one
CID 17485781
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
CID 7428196

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 56807771) is 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is COc1cc2c(cc1OC)C(c1cccs1)N(S(N)(=O)=O)CC2.
What is the InChIKey of 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is KQGXFAJUIQZKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-20-12-8-10-5-6-17(23(16,18)19)15(14-4-3-7-22-14)11(10)9-13(12)21-2/h3-4,7-9,15H,5-6H2,1-2H3,(H2,16,18,19).
What are the key properties of 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 354.45 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 56807771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).