5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid

C10H13NO5S2 — CID 167188471

IUPAC5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESCO[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C10H13NO5S2/c1-16-7-4-5-11(6-7)18(14,15)9-3-2-8(17-9)10(12)13/h2-3,7H,4-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyFCOLGUXQYBXJLL-SSDOTTSWSA-N
MW291.35 g/mol
LogP0.86
Rot. Bonds4

About 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid

5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid (PubChem CID 167188471) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
PubChem CID167188471
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESCO[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C10H13NO5S2/c1-16-7-4-5-11(6-7)18(14,15)9-3-2-8(17-9)10(12)13/h2-3,7H,4-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyFCOLGUXQYBXJLL-SSDOTTSWSA-N
XLogP0.86
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-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

methyl 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 167188486
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907417
4-(3-methoxypyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103531351
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907136
5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 54907275
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
methyl 1-(5-carbamothioylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 106271625
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 81464542
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid (CID 167188471) is 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid is CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)C1.
What is the InChIKey of 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The InChIKey is FCOLGUXQYBXJLL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-16-7-4-5-11(6-7)18(14,15)9-3-2-8(17-9)10(12)13/h2-3,7H,4-6H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid?
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 167188471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).