1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid

C10H13NO4S2 — CID 2770155

IUPAC1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C10H13NO4S2/c12-10(13)8-3-5-11(6-4-8)17(14,15)9-2-1-7-16-9/h1-2,7-8H,3-6H2,(H,12,13)
InChIKeyUHLPQMBGBPAJFX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.23
Rot. Bonds3

About 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid

1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid (PubChem CID 2770155) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
PubChem CID2770155
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C10H13NO4S2/c12-10(13)8-3-5-11(6-4-8)17(14,15)9-2-1-7-16-9/h1-2,7-8H,3-6H2,(H,12,13)
InChIKeyUHLPQMBGBPAJFX-UHFFFAOYSA-N
XLogP1.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid (CID 2770155) is 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is UHLPQMBGBPAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c12-10(13)8-3-5-11(6-4-8)17(14,15)9-2-1-7-16-9/h1-2,7-8H,3-6H2,(H,12,13).
What are the key properties of 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid?
1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 2770155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).