5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid

C11H14N2O5S2 — CID 43229158

IUPAC5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H14N2O5S2/c12-10(14)8-3-1-2-4-13(8)20(17,18)9-5-7(6-19-9)11(15)16/h5-6,8H,1-4H2,(H2,12,14)(H,15,16)
InChIKeyUVPMHSUINMCVEV-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.47
Rot. Bonds4

About 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid

5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid (PubChem CID 43229158) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
PubChem CID43229158
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Name5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H14N2O5S2/c12-10(14)8-3-1-2-4-13(8)20(17,18)9-5-7(6-19-9)11(15)16/h5-6,8H,1-4H2,(H2,12,14)(H,15,16)
InChIKeyUVPMHSUINMCVEV-UHFFFAOYSA-N
XLogP0.47
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-carbamoylpiperidin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102748132
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
5-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 60952057
4-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonyl-3-chlorobenzoic acid
CID 146131026
5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 62943561
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)thiophene-3-carboxylic acid
CID 63150763
4-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 146131022
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43430408
5-[(3S,4R)-3-carbamoyl-4-phenylpyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 136582822
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid
CID 63158586
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 63164467

Frequently Asked Questions

What is the IUPAC name of 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid?
The IUPAC name of 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid (CID 43229158) is 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid?
The canonical SMILES for 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid is NC(=O)C1CCCCN1S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid?
The InChIKey is UVPMHSUINMCVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S2/c12-10(14)8-3-1-2-4-13(8)20(17,18)9-5-7(6-19-9)11(15)16/h5-6,8H,1-4H2,(H2,12,14)(H,15,16).
What are the key properties of 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid?
5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid is sourced from PubChem (CID 43229158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).