4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid

C11H15NO4S2 — CID 134790760

IUPAC4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(S(=O)(=O)c2ccsc2)CC1
InChIInChI=1S/C11H15NO4S2/c1-11(10(13)14)3-5-12(6-4-11)18(15,16)9-2-7-17-8-9/h2,7-8H,3-6H2,1H3,(H,13,14)
InChIKeyGNJMAYGAQVLWPI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.62
Rot. Bonds3

About 4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid

4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid (PubChem CID 134790760) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid
PubChem CID134790760
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(S(=O)(=O)c2ccsc2)CC1
InChIInChI=1S/C11H15NO4S2/c1-11(10(13)14)3-5-12(6-4-11)18(15,16)9-2-7-17-8-9/h2,7-8H,3-6H2,1H3,(H,13,14)
InChIKeyGNJMAYGAQVLWPI-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 ≤ 500289.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid (CID 134790760) is 4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(S(=O)(=O)c2ccsc2)CC1.
What is the InChIKey of 4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is GNJMAYGAQVLWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-11(10(13)14)3-5-12(6-4-11)18(15,16)9-2-7-17-8-9/h2,7-8H,3-6H2,1H3,(H,13,14).
What are the key properties of 4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid?
4-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 289.38 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-methyl-1-thiophen-3-ylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 134790760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).