1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid

C13H14N2O4S — CID 167910792

IUPAC1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O4S/c16-13(17)11-6-3-7-15(11)20(18,19)12-8-14-10-5-2-1-4-9(10)12/h1-2,4-5,8,11,14H,3,6-7H2,(H,16,17)
InChIKeyYMTTZHKQVNEWSM-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.41
Rot. Bonds3

About 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid

1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid (PubChem CID 167910792) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
PubChem CID167910792
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O4S/c16-13(17)11-6-3-7-15(11)20(18,19)12-8-14-10-5-2-1-4-9(10)12/h1-2,4-5,8,11,14H,3,6-7H2,(H,16,17)
InChIKeyYMTTZHKQVNEWSM-UHFFFAOYSA-N
XLogP1.41
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indol-3-ylsulfonyl)pyrrolidine-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

1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
(2R)-1-(1-benzothiophen-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 120968936
(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069629
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 3854693
(2S)-1-(2-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 54048299
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2384447
3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole
CID 175632553
(2S)-1-[2-(2-methylprop-1-enyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 166385554
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78923122
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid (CID 167910792) is 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YMTTZHKQVNEWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-13(17)11-6-3-7-15(11)20(18,19)12-8-14-10-5-2-1-4-9(10)12/h1-2,4-5,8,11,14H,3,6-7H2,(H,16,17).
What are the key properties of 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167910792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).