1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid

C11H15NO4S2 — CID 2055821

IUPAC1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C11H15NO4S2/c1-8-2-3-10(17-8)18(15,16)12-6-4-9(5-7-12)11(13)14/h2-3,9H,4-7H2,1H3,(H,13,14)
InChIKeyUSIWAKGHBIMGRY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.54
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid

1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 2055821) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid
PubChem CID2055821
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C11H15NO4S2/c1-8-2-3-10(17-8)18(15,16)12-6-4-9(5-7-12)11(13)14/h2-3,9H,4-7H2,1H3,(H,13,14)
InChIKeyUSIWAKGHBIMGRY-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid (CID 2055821) is 1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is USIWAKGHBIMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-8-2-3-10(17-8)18(15,16)12-6-4-9(5-7-12)11(13)14/h2-3,9H,4-7H2,1H3,(H,13,14).
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid?
1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.54, 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-4-carboxylic acid is sourced from PubChem (CID 2055821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).