1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline

C17H15NO2S3 — CID 5263889

IUPAC1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1cccs1)N1CCc2ccccc2C1c1cccs1
InChIInChI=1S/C17H15NO2S3/c19-23(20,16-8-4-12-22-16)18-10-9-13-5-1-2-6-14(13)17(18)15-7-3-11-21-15/h1-8,11-12,17H,9-10H2
InChIKeyXTQKMJKYRNUHDH-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.15
Rot. Bonds3

About 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline

1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 5263889) has the molecular formula C17H15NO2S3 and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
PubChem CID5263889
Molecular FormulaC17H15NO2S3
Molecular Weight361.51 g/mol
Exact Mass361.03
IUPAC Name1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1cccs1)N1CCc2ccccc2C1c1cccs1
InChIInChI=1S/C17H15NO2S3/c19-23(20,16-8-4-12-22-16)18-10-9-13-5-1-2-6-14(13)17(18)15-7-3-11-21-15/h1-8,11-12,17H,9-10H2
InChIKeyXTQKMJKYRNUHDH-UHFFFAOYSA-N
XLogP4.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid
CID 3681718
1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71417545
4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide
CID 40844482
6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 56807771
(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 146096119
(2-fluorophenyl)methyl 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate
CID 23733538
(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 95285356
1-phenyl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16803433
[2-(3-bromophenyl)-2-oxoethyl] 2-[(1S)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 2377678
[2-(3-bromophenyl)-2-oxoethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate
CID 3508655
3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
CID 110419953
(2R)-2-methyl-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 120717017

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline (CID 5263889) is 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline is O=S(=O)(c1cccs1)N1CCc2ccccc2C1c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XTQKMJKYRNUHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S3/c19-23(20,16-8-4-12-22-16)18-10-9-13-5-1-2-6-14(13)17(18)15-7-3-11-21-15/h1-8,11-12,17H,9-10H2.
What are the key properties of 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 361.51 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 5263889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).