1-(2-Boronophenylsulfonyl)piperidine

• CAS: 957034-87-6
• Catalog Number: ACM957034876
• Category: Other
• Molecular Weight: 269.12
• Molecular Formula: C₁₁H₁₆BNO₄S
• Synonyms: 957034-87-6, 2-(Piperidin-1-ylsulfonyl)phenylboronic acid, SBB071149, (2-(Piperidin-1-ylsulfonyl)phenyl)boronic acid, ACMC-209s0i, CTK5H7975, MolPort-001-757-466, ANW-40576, 1-(2-Boronophenylsulphonyl)piperidine, AKOS015854049, AG-H-93444, RL06028, AK-92653, BD230559, KB-15860, 2-(piperidine-1-sulfonyl)phenylboronic acid, (2-piperidin-1-ylsulfonylphenyl)boronic acid, [2-(1-piperidylsulfonyl)phenyl]boronic acid, FT-0655621, [2-(1-piperidinylsulfonyl)phenyl]boronic acid
• IUPAC Name: (2-piperidin-1-ylsulfonylphenyl)boronic acid
• Canonical SMILES: B(C1=CC=CC=C1S(=O)(=O)N2CCCCC2)(O)O
• InChI Key: PTSWGJSCDHDBRA-UHFFFAOYSA-N
• Boiling Point: 488.1ºC at 760 mmHg
• Flash Point: 249ºC
• Density: 1.37g/cm³
• Exact Mass: 269.08900
• H-Bond Acceptor: 5
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 1-(2-Boronophenylsulfonyl)piperidine?

The molecular formula is C11H16BNO4S.

What is the molecular weight of 1-(2-Boronophenylsulfonyl)piperidine?

The molecular weight is 269.13 g/mol.

What is the IUPAC name of 1-(2-Boronophenylsulfonyl)piperidine?

The IUPAC name is (2-piperidin-1-ylsulfonylphenyl)boronic acid.

What is the InChI of 1-(2-Boronophenylsulfonyl)piperidine?

The InChI is InChI=1S/C11H16BNO4S/c14-12(15)10-6-2-3-7-11(10)18(16,17)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2.

What is the InChIKey of 1-(2-Boronophenylsulfonyl)piperidine?

The InChIKey is PTSWGJSCDHDBRA-UHFFFAOYSA-N.

What is the canonical SMILES of 1-(2-Boronophenylsulfonyl)piperidine?

The canonical SMILES is B(C1=CC=CC=C1S(=O)(=O)N2CCCCC2)(O)O.

What is the CAS number of 1-(2-Boronophenylsulfonyl)piperidine?

The CAS number is 957034-87-6.

What is the EC number of 1-(2-Boronophenylsulfonyl)piperidine?

The EC number is 813-448-4.

Is 1-(2-Boronophenylsulfonyl)piperidine a canonicalized compound?

Yes, it is a canonicalized compound.