2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

C14H19NO4S2 — CID 103342623

IUPAC2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C14H19NO4S2/c16-14(17)11-3-1-5-13(11)21(18,19)15-7-2-4-12(15)10-6-8-20-9-10/h6,8-9,11-13H,1-5,7H2,(H,16,17)
InChIKeyNCOPFRHFVMOBNB-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.47
Rot. Bonds4

About 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103342623) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID103342623
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C14H19NO4S2/c16-14(17)11-3-1-5-13(11)21(18,19)15-7-2-4-12(15)10-6-8-20-9-10/h6,8-9,11-13H,1-5,7H2,(H,16,17)
InChIKeyNCOPFRHFVMOBNB-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103342466
2-[(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylmethyl]aniline
CID 62022446
4-methyl-3-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylaniline
CID 61108236
3,5-dimethyl-4-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94638176
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (CID 103342623) is 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is O=C(O)C1CCCC1S(=O)(=O)N1CCCC1c1ccsc1.
What is the InChIKey of 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is NCOPFRHFVMOBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c16-14(17)11-3-1-5-13(11)21(18,19)15-7-2-4-12(15)10-6-8-20-9-10/h6,8-9,11-13H,1-5,7H2,(H,16,17).
What are the key properties of 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).