5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid

C15H15NO4S2 — CID 95594259

IUPAC5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid
SMILESC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)c2ccccc21
InChIInChI=1S/C15H15NO4S2/c1-10-6-7-16(13-5-3-2-4-12(10)13)22(19,20)14-8-11(9-21-14)15(17)18/h2-5,8-10H,6-7H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyXJYGWOONQSWCGH-SNVBAGLBSA-N
MW337.42 g/mol
LogP3.15
Rot. Bonds3

About 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid

5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid (PubChem CID 95594259) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid
PubChem CID95594259
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Name5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid
SMILESC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)c2ccccc21
InChIInChI=1S/C15H15NO4S2/c1-10-6-7-16(13-5-3-2-4-12(10)13)22(19,20)14-8-11(9-21-14)15(17)18/h2-5,8-10H,6-7H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyXJYGWOONQSWCGH-SNVBAGLBSA-N
XLogP3.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid with MolForge

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Related Compounds

5-[[(2S,3S)-2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl]sulfonyl]thiophene-3-carboxylic acid
CID 96541863
4-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578840
4-[[(3R)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578841
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
1-(1,3-benzodioxol-5-ylsulfonyl)-4-methyl-3,4-dihydro-2H-quinoline
CID 110737850
5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 62943561
(4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99798837
4-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 23120230
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 63164467
3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole
CID 110737858
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43430408
5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]thiophene-3-carboxylic acid
CID 55152573

Frequently Asked Questions

What is the IUPAC name of 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid (CID 95594259) is 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid is C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)c2ccccc21.
What is the InChIKey of 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid?
The InChIKey is XJYGWOONQSWCGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-10-6-7-16(13-5-3-2-4-12(10)13)22(19,20)14-8-11(9-21-14)15(17)18/h2-5,8-10H,6-7H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid?
5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 95594259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).