5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

C14H21NO4S2 — CID 83053526

IUPAC5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C14H21NO4S2/c1-3-6-11-7-4-5-8-15(11)21(18,19)13-9-12(14(16)17)20-10(13)2/h9,11H,3-8H2,1-2H3,(H,16,17)
InChIKeyBHTCGBBMCNGWDU-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.10
Rot. Bonds5

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

5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 83053526) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID83053526
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C14H21NO4S2/c1-3-6-11-7-4-5-8-15(11)21(18,19)13-9-12(14(16)17)20-10(13)2/h9,11H,3-8H2,1-2H3,(H,16,17)
InChIKeyBHTCGBBMCNGWDU-UHFFFAOYSA-N
XLogP3.10
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43266325
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83046351
4-(2-carbamoylpyrrolidin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63328505
4-(2,3-dimethylpiperidin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63328876
3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053033
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 107214999
N-methyl-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83062064
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329128
[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057755
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63610212
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 83053526) is 5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is CCCC1CCCCN1S(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is BHTCGBBMCNGWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-3-6-11-7-4-5-8-15(11)21(18,19)13-9-12(14(16)17)20-10(13)2/h9,11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 83053526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).