3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid

C11H15NO4S2 — CID 63135547

IUPAC3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H15NO4S2/c1-11(10(13)14)5-3-6-12(8-11)18(15,16)9-4-2-7-17-9/h2,4,7H,3,5-6,8H2,1H3,(H,13,14)
InChIKeyVJEGPJGZBATPJE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.62
Rot. Bonds3

About 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid

3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 63135547) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID63135547
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H15NO4S2/c1-11(10(13)14)5-3-6-12(8-11)18(15,16)9-4-2-7-17-9/h2,4,7H,3,5-6,8H2,1H3,(H,13,14)
InChIKeyVJEGPJGZBATPJE-UHFFFAOYSA-N
XLogP1.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95088355
(3S)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95088354
3-methyl-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 63135546
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperidine-3-carboxylic acid
CID 103099706
1-thiophen-2-ylsulfonylpiperidine
CID 765823
4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
CID 2564272
2-methyl-4-thiophen-2-ylsulfonylmorpholine-2-carboxamide
CID 127247675
1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid
CID 167881269
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidine-3-carboxylic acid
CID 136533171
8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67394620
3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
CID 65068908
4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine
CID 110637952

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid (CID 63135547) is 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is VJEGPJGZBATPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-11(10(13)14)5-3-6-12(8-11)18(15,16)9-4-2-7-17-9/h2,4,7H,3,5-6,8H2,1H3,(H,13,14).
What are the key properties of 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid?
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).