2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid

C11H15NO4S2 — CID 3837253

IUPAC2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C11H15NO4S2/c13-10(14)8-9-4-5-11(17-9)18(15,16)12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14)
InChIKeyGHZRQYVOINPTBL-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.55
Rot. Bonds4

About 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid

2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid (PubChem CID 3837253) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid
PubChem CID3837253
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C11H15NO4S2/c13-10(14)8-9-4-5-11(17-9)18(15,16)12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14)
InChIKeyGHZRQYVOINPTBL-UHFFFAOYSA-N
XLogP1.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid (CID 3837253) is 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid is O=C(O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid?
The InChIKey is GHZRQYVOINPTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c13-10(14)8-9-4-5-11(17-9)18(15,16)12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14).
What are the key properties of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid?
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid has a molecular weight of 289.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid is sourced from PubChem (CID 3837253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).