2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid

C11H14N2O5S2 — CID 63661363

IUPAC2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NC2CCC(=O)NC2)s1
InChIInChI=1S/C11H14N2O5S2/c14-9-3-1-7(6-12-9)13-20(17,18)11-4-2-8(19-11)5-10(15)16/h2,4,7,13H,1,3,5-6H2,(H,12,14)(H,15,16)
InChIKeyZWZKOVWVYNWFQU-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.07
Rot. Bonds5

About 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 63661363) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID63661363
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Name2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NC2CCC(=O)NC2)s1
InChIInChI=1S/C11H14N2O5S2/c14-9-3-1-7(6-12-9)13-20(17,18)11-4-2-8(19-11)5-10(15)16/h2,4,7,13H,1,3,5-6H2,(H,12,14)(H,15,16)
InChIKeyZWZKOVWVYNWFQU-UHFFFAOYSA-N
XLogP-0.07
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(Piperidine-1-sulfonyl)thiophen-2-yl]acetic acid
CID 3837253
2-[5-(4-Fluoropiperidin-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 178299962
3-Fluoro-2-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]propanoic acid
CID 121946445
N-(2-acetamidoethyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 16269560
2-[5-(Cyclohexylsulfamoyl)thiophen-2-yl]acetic acid
CID 25750640
2-[5-(4-Acetylpiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 25750689
2-[5-[(2-Amino-2-oxoethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29052694
2-[5-(3-Oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 29052905
2-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]acetic acid
CID 29280439
2-[5-[Methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]thiophen-2-yl]acetate
CID 29284863
2-[5-[Methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29284864
2-[5-(4-Carbamoylpiperidin-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 29302878

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid (CID 63661363) is 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NC2CCC(=O)NC2)s1.
What is the InChIKey of 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is ZWZKOVWVYNWFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S2/c14-9-3-1-7(6-12-9)13-20(17,18)11-4-2-8(19-11)5-10(15)16/h2,4,7,13H,1,3,5-6H2,(H,12,14)(H,15,16).
What are the key properties of 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 318.38 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 63661363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).