1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid

C11H12N2O5S2 — CID 106265376

IUPAC1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)c2ccc(C#N)s2)C1
InChIInChI=1S/C11H12N2O5S2/c1-18-7-4-9(11(14)15)13(6-7)20(16,17)10-3-2-8(5-12)19-10/h2-3,7,9H,4,6H2,1H3,(H,14,15)
InChIKeyFKOZYPYQKPPZGM-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.48
Rot. Bonds4

About 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid

1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 106265376) has the molecular formula C11H12N2O5S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID106265376
Molecular FormulaC11H12N2O5S2
Molecular Weight316.36 g/mol
Exact Mass316.02
IUPAC Name1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)c2ccc(C#N)s2)C1
InChIInChI=1S/C11H12N2O5S2/c1-18-7-4-9(11(14)15)13(6-7)20(16,17)10-3-2-8(5-12)19-10/h2-3,7,9H,4,6H2,1H3,(H,14,15)
InChIKeyFKOZYPYQKPPZGM-UHFFFAOYSA-N
XLogP0.48
TPSA107.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-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-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 79987621
1-(2,5-dibromothiophen-3-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 43361551
5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166105
1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 106267798
(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151107
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61144941
5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
CID 106269142
1-(6-cyano-2-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 64588741
1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 114805391
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 105360699

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid (CID 106265376) is 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(S(=O)(=O)c2ccc(C#N)s2)C1.
What is the InChIKey of 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is FKOZYPYQKPPZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S2/c1-18-7-4-9(11(14)15)13(6-7)20(16,17)10-3-2-8(5-12)19-10/h2-3,7,9H,4,6H2,1H3,(H,14,15).
What are the key properties of 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid?
1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106265376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).