5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

C10H13NO5S2 — CID 54907417

IUPAC5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCC(O)CC2)s1
InChIInChI=1S/C10H13NO5S2/c12-7-3-5-11(6-4-7)18(15,16)9-2-1-8(17-9)10(13)14/h1-2,7,12H,3-6H2,(H,13,14)
InChIKeyBZGGXOGUXWTPHM-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.59
Rot. Bonds3

About 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 54907417) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID54907417
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCC(O)CC2)s1
InChIInChI=1S/C10H13NO5S2/c12-7-3-5-11(6-4-7)18(15,16)9-2-1-8(17-9)10(13)14/h1-2,7,12H,3-6H2,(H,13,14)
InChIKeyBZGGXOGUXWTPHM-UHFFFAOYSA-N
XLogP0.59
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
methyl 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 167188486
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
CID 43520883
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 82747749
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907136
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 62773271
5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 54907275

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 54907417) is 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N2CCC(O)CC2)s1.
What is the InChIKey of 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is BZGGXOGUXWTPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c12-7-3-5-11(6-4-7)18(15,16)9-2-1-8(17-9)10(13)14/h1-2,7,12H,3-6H2,(H,13,14).
What are the key properties of 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 54907417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).