4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

C12H17NO4S2 — CID 63616973

IUPAC4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1CCCC(C)N1S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H17NO4S2/c1-8-4-3-5-9(2)13(8)19(16,17)10-6-11(12(14)15)18-7-10/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyRLLKUSCEVPOYBB-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.40
Rot. Bonds3

About 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 63616973) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID63616973
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1CCCC(C)N1S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H17NO4S2/c1-8-4-3-5-9(2)13(8)19(16,17)10-6-11(12(14)15)18-7-10/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyRLLKUSCEVPOYBB-UHFFFAOYSA-N
XLogP2.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 65319219
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 55248008
5-bromo-4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43362507
4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61066624
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43208784
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoic acid
CID 30053258
4-(3-acetamidopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61068084
4-(3-methoxypyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103531351
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61063212
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 63616973) is 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is CC1CCCC(C)N1S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is RLLKUSCEVPOYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-8-4-3-5-9(2)13(8)19(16,17)10-6-11(12(14)15)18-7-10/h6-9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 63616973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).