1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid

C11H14BrNO4S2 — CID 79988524

IUPAC1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)sc1Br
InChIInChI=1S/C11H14BrNO4S2/c1-7-5-9(18-10(7)12)19(16,17)13-4-2-3-8(6-13)11(14)15/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyWMPLJSSPAXOUQG-UHFFFAOYSA-N
MW368.27 g/mol
LogP2.30
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid

1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 79988524) has the molecular formula C11H14BrNO4S2 and a molecular weight of 368.27 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID79988524
Molecular FormulaC11H14BrNO4S2
Molecular Weight368.27 g/mol
Exact Mass366.95
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)sc1Br
InChIInChI=1S/C11H14BrNO4S2/c1-7-5-9(18-10(7)12)19(16,17)13-4-2-3-8(6-13)11(14)15/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyWMPLJSSPAXOUQG-UHFFFAOYSA-N
XLogP2.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80676134
(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
CID 124517018
1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81320361
[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
CID 79998589
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896891
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-(chloromethyl)pyrrolidine
CID 79988757
4-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80672635
3-[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 79997724
1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 80736027
(3S)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 78923457
ethyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 103100561

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid (CID 79988524) is 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid is Cc1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is WMPLJSSPAXOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S2/c1-7-5-9(18-10(7)12)19(16,17)13-4-2-3-8(6-13)11(14)15/h5,8H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid?
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 368.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 79988524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).