5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid

C13H12N2O4S2 — CID 60861409

IUPAC5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCc3ncccc3C2)c1
InChIInChI=1S/C13H12N2O4S2/c16-13(17)10-6-12(20-8-10)21(18,19)15-5-3-11-9(7-15)2-1-4-14-11/h1-2,4,6,8H,3,5,7H2,(H,16,17)
InChIKeyYCQARYGRBRZASU-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.59
Rot. Bonds3

About 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid

5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid (PubChem CID 60861409) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid
PubChem CID60861409
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Name5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCc3ncccc3C2)c1
InChIInChI=1S/C13H12N2O4S2/c16-13(17)10-6-12(20-8-10)21(18,19)15-5-3-11-9(7-15)2-1-4-14-11/h1-2,4,6,8H,3,5,7H2,(H,16,17)
InChIKeyYCQARYGRBRZASU-UHFFFAOYSA-N
XLogP1.59
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid 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

5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine
CID 61300720
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
CID 79694045
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 119146278
5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophene-3-carboxylic acid
CID 106313498
2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68580086
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61215839
5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 62943561
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 146147933
5-[(3S,4R)-3-carbamoyl-4-phenylpyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 136582822
5-[4-(3-fluorobenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 45386918

Frequently Asked Questions

What is the IUPAC name of 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid (CID 60861409) is 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)N2CCc3ncccc3C2)c1.
What is the InChIKey of 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid?
The InChIKey is YCQARYGRBRZASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c16-13(17)10-6-12(20-8-10)21(18,19)15-5-3-11-9(7-15)2-1-4-14-11/h1-2,4,6,8H,3,5,7H2,(H,16,17).
What are the key properties of 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid?
5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 60861409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).