5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid

C9H11NO5S2 — CID 62943561

IUPAC5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C9H11NO5S2/c11-7-1-2-10(4-7)17(14,15)8-3-6(5-16-8)9(12)13/h3,5,7,11H,1-2,4H2,(H,12,13)
InChIKeyINOKIJPTKBTMPL-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.20
Rot. Bonds3

About 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid

5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid (PubChem CID 62943561) has the molecular formula C9H11NO5S2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
PubChem CID62943561
Molecular FormulaC9H11NO5S2
Molecular Weight277.32 g/mol
Exact Mass277.01
IUPAC Name5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C9H11NO5S2/c11-7-1-2-10(4-7)17(14,15)8-3-6(5-16-8)9(12)13/h3,5,7,11H,1-2,4H2,(H,12,13)
InChIKeyINOKIJPTKBTMPL-UHFFFAOYSA-N
XLogP0.20
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 63164467
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)thiophene-3-carboxylic acid
CID 63150763
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43430408
5-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 60952057
5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]thiophene-3-carboxylic acid
CID 55152573
4-bromo-3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 55133099
4-bromo-3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 94895660
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid
CID 63158586
3,4-difluoro-5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215050
5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid
CID 168726746
5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophene-3-carboxylic acid
CID 106313498

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid?
The IUPAC name of 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid (CID 62943561) is 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid?
The canonical SMILES for 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)N2CCC(O)C2)c1.
What is the InChIKey of 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid?
The InChIKey is INOKIJPTKBTMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S2/c11-7-1-2-10(4-7)17(14,15)8-3-6(5-16-8)9(12)13/h3,5,7,11H,1-2,4H2,(H,12,13).
What are the key properties of 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid?
5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid is sourced from PubChem (CID 62943561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).