1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid

C10H13NO4S2 — CID 3762482

IUPAC1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)O)s1
InChIInChI=1S/C10H13NO4S2/c1-7-4-5-9(16-7)17(14,15)11-6-2-3-8(11)10(12)13/h4-5,8H,2-3,6H2,1H3,(H,12,13)
InChIKeyXVCFDYYHZJBEBW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.29
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid

1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 3762482) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID3762482
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)O)s1
InChIInChI=1S/C10H13NO4S2/c1-7-4-5-9(16-7)17(14,15)11-6-2-3-8(11)10(12)13/h4-5,8H,2-3,6H2,1H3,(H,12,13)
InChIKeyXVCFDYYHZJBEBW-UHFFFAOYSA-N
XLogP1.29
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-(Pyrrolidine-1-sulfonyl)thiophen-2-yl)acetic acid
CID 2386006
1-(Thiophene-2-sulfonyl)-pyrrolidine-2-carboxylic acid
CID 3150908
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
(2S,5S)-5-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 164642432
1-[5-(Trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778650
1-[5-(Trifluoromethyl)thiophen-2-yl]sulfonylpiperidine-2-carboxylic acid
CID 121778658
(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
3-Fluoro-2-[[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 121946087
(2R)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-4,4-difluoropyrrolidine-2-carboxylic acid
CID 132322410
(2R,5R)-5-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 132387690

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 3762482) is 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)O)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is XVCFDYYHZJBEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-7-4-5-9(16-7)17(14,15)11-6-2-3-8(11)10(12)13/h4-5,8H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3762482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).