4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid

C11H13NO4S2 — CID 55151488

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CC3CCC2C3)cs1
InChIInChI=1S/C11H13NO4S2/c13-11(14)10-4-9(6-17-10)18(15,16)12-5-7-1-2-8(12)3-7/h4,6-8H,1-3,5H2,(H,13,14)
InChIKeyGKZRADCKRJUTME-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.62
Rot. Bonds3

About 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid

4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid (PubChem CID 55151488) has the molecular formula C11H13NO4S2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid
PubChem CID55151488
Molecular FormulaC11H13NO4S2
Molecular Weight287.36 g/mol
Exact Mass287.03
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CC3CCC2C3)cs1
InChIInChI=1S/C11H13NO4S2/c13-11(14)10-4-9(6-17-10)18(15,16)12-5-7-1-2-8(12)3-7/h4,6-8H,1-3,5H2,(H,13,14)
InChIKeyGKZRADCKRJUTME-UHFFFAOYSA-N
XLogP1.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61066624
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 65319219
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-2-chlorobenzoic acid
CID 104656470
6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid
CID 55251988
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 55248008
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61063212
4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63616973
4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 83101664
4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63617321
4-(3-methoxypyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103531351
3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4,5-dimethylbenzoic acid
CID 61068457
4-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 166213017

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid (CID 55151488) is 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CC3CCC2C3)cs1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid?
The InChIKey is GKZRADCKRJUTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S2/c13-11(14)10-4-9(6-17-10)18(15,16)12-5-7-1-2-8(12)3-7/h4,6-8H,1-3,5H2,(H,13,14).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid?
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 55151488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).