5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid

C9H11NO4S2 — CID 61027232

IUPAC5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C9H11NO4S2/c11-9(12)7-3-4-8(15-7)16(13,14)10-5-1-2-6-10/h3-4H,1-2,5-6H2,(H,11,12)
InChIKeyBQPNPKIULBVJLK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.23
Rot. Bonds3

About 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid

5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid (PubChem CID 61027232) has the molecular formula C9H11NO4S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
PubChem CID61027232
Molecular FormulaC9H11NO4S2
Molecular Weight261.32 g/mol
Exact Mass261.01
IUPAC Name5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C9H11NO4S2/c11-9(12)7-3-4-8(15-7)16(13,14)10-5-1-2-6-10/h3-4H,1-2,5-6H2,(H,11,12)
InChIKeyBQPNPKIULBVJLK-UHFFFAOYSA-N
XLogP1.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907417
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907136
5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 62773271
(E)-3-(4-methylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid
CID 9447164
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 82747749
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638
(E)-3-(2-chlorophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid
CID 2421365
(Z)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-pyridin-4-ylprop-2-enoic acid
CID 2381988
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471
5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 54907275

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid (CID 61027232) is 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid?
The InChIKey is BQPNPKIULBVJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S2/c11-9(12)7-3-4-8(15-7)16(13,14)10-5-1-2-6-10/h3-4H,1-2,5-6H2,(H,11,12).
What are the key properties of 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid?
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 61027232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).