5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid

C12H17NO4S2 — CID 43430408

IUPAC5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
SMILESCCC1CCCN(S(=O)(=O)c2cc(C(=O)O)cs2)C1
InChIInChI=1S/C12H17NO4S2/c1-2-9-4-3-5-13(7-9)19(16,17)11-6-10(8-18-11)12(14)15/h6,8-9H,2-5,7H2,1H3,(H,14,15)
InChIKeyQJFMIJPYUOKKOI-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.26
Rot. Bonds4

About 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid

5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid (PubChem CID 43430408) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
PubChem CID43430408
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
SMILESCCC1CCCN(S(=O)(=O)c2cc(C(=O)O)cs2)C1
InChIInChI=1S/C12H17NO4S2/c1-2-9-4-3-5-13(7-9)19(16,17)11-6-10(8-18-11)12(14)15/h6,8-9H,2-5,7H2,1H3,(H,14,15)
InChIKeyQJFMIJPYUOKKOI-UHFFFAOYSA-N
XLogP2.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
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5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
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5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
5-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 60952057
[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
CID 61300187
5-(4-hydroxy-4-methylazepan-1-yl)sulfonylthiophene-3-carboxylic acid
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5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid
CID 63158586
5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
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1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid?
The IUPAC name of 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid (CID 43430408) is 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid?
The canonical SMILES for 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid is CCC1CCCN(S(=O)(=O)c2cc(C(=O)O)cs2)C1.
What is the InChIKey of 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid?
The InChIKey is QJFMIJPYUOKKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-2-9-4-3-5-13(7-9)19(16,17)11-6-10(8-18-11)12(14)15/h6,8-9H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid?
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid is sourced from PubChem (CID 43430408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).