5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid

C11H16N2O4S2 — CID 63164467

IUPAC5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
SMILESCN(C)C1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)C1
InChIInChI=1S/C11H16N2O4S2/c1-12(2)9-3-4-13(6-9)19(16,17)10-5-8(7-18-10)11(14)15/h5,7,9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyYOMXQYWFSQSVQO-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.77
Rot. Bonds4

About 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid

5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid (PubChem CID 63164467) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
PubChem CID63164467
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
SMILESCN(C)C1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)C1
InChIInChI=1S/C11H16N2O4S2/c1-12(2)9-3-4-13(6-9)19(16,17)10-5-8(7-18-10)11(14)15/h5,7,9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyYOMXQYWFSQSVQO-UHFFFAOYSA-N
XLogP0.77
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 62943561
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43430408
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)thiophene-3-carboxylic acid
CID 63150763
5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]thiophene-3-carboxylic acid
CID 55152573
5-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 60952057
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 63236674
5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophene-3-carboxylic acid
CID 106313498
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid
CID 63158586
1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 63222011
5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 60681390

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid?
The IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid (CID 63164467) is 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid?
The canonical SMILES for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid is CN(C)C1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)C1.
What is the InChIKey of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid?
The InChIKey is YOMXQYWFSQSVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-12(2)9-3-4-13(6-9)19(16,17)10-5-8(7-18-10)11(14)15/h5,7,9H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid?
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid is sourced from PubChem (CID 63164467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).