methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate

C11H15NO4S2 — CID 27245285

IUPACmethyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C11H15NO4S2/c1-16-11(13)10-7-9(8-17-10)18(14,15)12-5-3-2-4-6-12/h7-8H,2-6H2,1H3
InChIKeyWJVQFPJROZFUHV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.71
Rot. Bonds3

About methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate

methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate (PubChem CID 27245285) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
PubChem CID27245285
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Namemethyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C11H15NO4S2/c1-16-11(13)10-7-9(8-17-10)18(14,15)12-5-3-2-4-6-12/h7-8H,2-6H2,1H3
InChIKeyWJVQFPJROZFUHV-UHFFFAOYSA-N
XLogP1.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
CID 119961681
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 6503439
N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503315
methyl 4-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119971268
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
1,3-benzodioxol-5-yl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate
CID 6503460
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
4-(3-acetamidopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61068084
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503288
(3-benzamidophenyl) 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 1322539

Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate (CID 27245285) is methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1.
What is the InChIKey of methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate?
The InChIKey is WJVQFPJROZFUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-16-11(13)10-7-9(8-17-10)18(14,15)12-5-3-2-4-6-12/h7-8H,2-6H2,1H3.
What are the key properties of methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate?
methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 27245285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).