1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid

C11H15NO4S2 — CID 2986460

IUPAC1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)s1
InChIInChI=1S/C11H15NO4S2/c1-8-5-6-10(17-8)18(15,16)12-7-3-2-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14)
InChIKeyOACZNBYRQPECEM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.68
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid

1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 2986460) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
PubChem CID2986460
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)s1
InChIInChI=1S/C11H15NO4S2/c1-8-5-6-10(17-8)18(15,16)12-7-3-2-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14)
InChIKeyOACZNBYRQPECEM-UHFFFAOYSA-N
XLogP1.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-(Pyrrolidine-1-sulfonyl)thiophen-2-yl)acetic acid
CID 2386006
2-(5-(Morpholine-4-sulfonyl)thiophen-2-yl)acetic acid
CID 2380528
1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 3762482
2-[5-(Piperidine-1-sulfonyl)thiophen-2-yl]acetic acid
CID 3837253
2-[5-(Diethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29560077
2-[5-(4-Fluoropiperidin-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 178299962
Methyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 178302369
2-(4-Piperidin-1-ylsulfonylthiophen-2-yl)acetic acid
CID 178302732
1-[(5-Methyl-2-thienyl)sulfonyl]piperidine-4-carboxylic acid
CID 2055821
(2S,5S)-5-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 164642432
2-[2-Thiophen-2-ylethyl(trifluoromethylsulfonyl)amino]butanoic acid
CID 68696786
2-[5-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 60951176

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid (CID 2986460) is 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is OACZNBYRQPECEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-8-5-6-10(17-8)18(15,16)12-7-3-2-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 2986460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).