4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid

C14H19NO4S2 — CID 61066624

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCC2C2CCCC2)cs1
InChIInChI=1S/C14H19NO4S2/c16-14(17)13-8-11(9-20-13)21(18,19)15-7-3-6-12(15)10-4-1-2-5-10/h8-10,12H,1-7H2,(H,16,17)
InChIKeyFJVSYRABIMADFX-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.79
Rot. Bonds4

About 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid

4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 61066624) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID61066624
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCC2C2CCCC2)cs1
InChIInChI=1S/C14H19NO4S2/c16-14(17)13-8-11(9-20-13)21(18,19)15-7-3-6-12(15)10-4-1-2-5-10/h8-10,12H,1-7H2,(H,16,17)
InChIKeyFJVSYRABIMADFX-UHFFFAOYSA-N
XLogP2.79
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 65319219
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 55248008
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638
4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63616973
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid
CID 55151488
4-(3-acetamidopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61068084
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61063212
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]benzamide
CID 40882510
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 82747749
methyl 4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-1-methylpyrrole-2-carboxylate
CID 92722770
(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 61066624) is 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CCCC2C2CCCC2)cs1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is FJVSYRABIMADFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c16-14(17)13-8-11(9-20-13)21(18,19)15-7-3-6-12(15)10-4-1-2-5-10/h8-10,12H,1-7H2,(H,16,17).
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid?
4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 61066624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).