[6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid

C8H11BN2O4S — CID 70937541

IUPAC[6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid
SMILESO=S(=O)(NC1CC1)c1ccc(B(O)O)cn1
InChIInChI=1S/C8H11BN2O4S/c12-9(13)6-1-4-8(10-5-6)16(14,15)11-7-2-3-7/h1,4-5,7,11-13H,2-3H2
InChIKeySEFYDILWRLLTGI-UHFFFAOYSA-N
MW242.06 g/mol
LogP-1.80
Rot. Bonds4

About [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid

[6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid (PubChem CID 70937541) has the molecular formula C8H11BN2O4S and a molecular weight of 242.06 g/mol. Its IUPAC name is [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid
PubChem CID70937541
Molecular FormulaC8H11BN2O4S
Molecular Weight242.06 g/mol
Exact Mass242.05
IUPAC Name[6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid
SMILESO=S(=O)(NC1CC1)c1ccc(B(O)O)cn1
InChIInChI=1S/C8H11BN2O4S/c12-9(13)6-1-4-8(10-5-6)16(14,15)11-7-2-3-7/h1,4-5,7,11-13H,2-3H2
InChIKeySEFYDILWRLLTGI-UHFFFAOYSA-N
XLogP-1.80
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid (CID 70937541) is [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid is O=S(=O)(NC1CC1)c1ccc(B(O)O)cn1.
What is the InChIKey of [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid?
The InChIKey is SEFYDILWRLLTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BN2O4S/c12-9(13)6-1-4-8(10-5-6)16(14,15)11-7-2-3-7/h1,4-5,7,11-13H,2-3H2.
What are the key properties of [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid?
[6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid has a molecular weight of 242.06 g/mol, XLogP of -1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 70937541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).