[5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid

C8H13BN2O4S — CID 133059770

IUPAC[5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid
SMILESCC(C)NS(=O)(=O)c1cncc(B(O)O)c1
InChIInChI=1S/C8H13BN2O4S/c1-6(2)11-16(14,15)8-3-7(9(12)13)4-10-5-8/h3-6,11-13H,1-2H3
InChIKeyZPIGRIMQAXLCFF-UHFFFAOYSA-N
MW244.08 g/mol
LogP-1.55
Rot. Bonds4

About [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid

[5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid (PubChem CID 133059770) has the molecular formula C8H13BN2O4S and a molecular weight of 244.08 g/mol. Its IUPAC name is [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid
PubChem CID133059770
Molecular FormulaC8H13BN2O4S
Molecular Weight244.08 g/mol
Exact Mass244.07
IUPAC Name[5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid
SMILESCC(C)NS(=O)(=O)c1cncc(B(O)O)c1
InChIInChI=1S/C8H13BN2O4S/c1-6(2)11-16(14,15)8-3-7(9(12)13)4-10-5-8/h3-6,11-13H,1-2H3
InChIKeyZPIGRIMQAXLCFF-UHFFFAOYSA-N
XLogP-1.55
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride
CID 154575030
[3,5-dimethyl-4-(propan-2-ylsulfamoyl)phenyl]boronic acid
CID 91759493
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propan-2-ylpyridine-3-sulfonamide
CID 44621441
(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 79011040
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62150881
2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 82222841
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid
CID 82222840
5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
CID 97242203
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769

Frequently Asked Questions

What is the IUPAC name of [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid?
The IUPAC name of [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid (CID 133059770) is [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid is CC(C)NS(=O)(=O)c1cncc(B(O)O)c1.
What is the InChIKey of [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid?
The InChIKey is ZPIGRIMQAXLCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BN2O4S/c1-6(2)11-16(14,15)8-3-7(9(12)13)4-10-5-8/h3-6,11-13H,1-2H3.
What are the key properties of [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid?
[5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid has a molecular weight of 244.08 g/mol, XLogP of -1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 133059770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).