1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid

C11H15NO4S2 — CID 43238232

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCCC2C(=O)O)c(C)s1
InChIInChI=1S/C11H15NO4S2/c1-7-6-10(8(2)17-7)18(15,16)12-5-3-4-9(12)11(13)14/h6,9H,3-5H2,1-2H3,(H,13,14)
InChIKeyVIZRYPNOKXGCBO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid

1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43238232) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID43238232
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCCC2C(=O)O)c(C)s1
InChIInChI=1S/C11H15NO4S2/c1-7-6-10(8(2)17-7)18(15,16)12-5-3-4-9(12)11(13)14/h6,9H,3-5H2,1-2H3,(H,13,14)
InChIKeyVIZRYPNOKXGCBO-UHFFFAOYSA-N
XLogP1.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-(Pyrrolidine-1-sulfonyl)thiophen-2-yl)acetic acid
CID 2386006
1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 3762482
1-[(5-Methyl-2-thienyl)sulfonyl]-2-piperidinecarboxylic acid
CID 2986460
(8S)-7-(benzenesulfonyl)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 72737389
2-(4-Pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid
CID 178294241
(2S,5S)-5-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 164642432
2-[2-Thiophen-2-ylethyl(trifluoromethylsulfonyl)amino]butanoic acid
CID 68696786
1-[5-(Trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778650
(2S)-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778680
(2R)-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778684
(2R,5R)-5-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 132387690
(2R,4S)-4-hydroxy-1-[2-(trifluoromethyl)thiophen-3-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 166293283

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 43238232) is 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid is Cc1cc(S(=O)(=O)N2CCCC2C(=O)O)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is VIZRYPNOKXGCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-7-6-10(8(2)17-7)18(15,16)12-5-3-4-9(12)11(13)14/h6,9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43238232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).