5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine

C13H14N2O2S2 — CID 61300720

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C13H14N2O2S2/c14-12-7-13(18-9-12)19(16,17)15-6-5-10-3-1-2-4-11(10)8-15/h1-4,7,9H,5-6,8,14H2
InChIKeyGDFALLRWHOWNFU-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.08
Rot. Bonds2

About 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine

5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine (PubChem CID 61300720) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine
PubChem CID61300720
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C13H14N2O2S2/c14-12-7-13(18-9-12)19(16,17)15-6-5-10-3-1-2-4-11(10)8-15/h1-4,7,9H,5-6,8,14H2
InChIKeyGDFALLRWHOWNFU-UHFFFAOYSA-N
XLogP2.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
CID 13098689
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5-methylaniline
CID 43256206
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylaniline
CID 28511921
2-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 79926732
5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid
CID 60861409
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
CID 102751045
2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 808079
2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methylaniline
CID 43452422
2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68580086
2-(2,3,4-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 898460
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-3-amine
CID 114459728
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine (CID 61300720) is 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine is Nc1csc(S(=O)(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine?
The InChIKey is GDFALLRWHOWNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c14-12-7-13(18-9-12)19(16,17)15-6-5-10-3-1-2-4-11(10)8-15/h1-4,7,9H,5-6,8,14H2.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine?
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine has a molecular weight of 294.40 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine is sourced from PubChem (CID 61300720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).