[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid

C7H11BN2O4S — CID 123423217

IUPAC[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid
SMILESCN(c1ncccc1B(O)O)S(C)(=O)=O
InChIInChI=1S/C7H11BN2O4S/c1-10(15(2,13)14)7-6(8(11)12)4-3-5-9-7/h3-5,11-12H,1-2H3
InChIKeyWFHYNUXEEPZVLJ-UHFFFAOYSA-N
MW230.05 g/mol
LogP-1.84
Rot. Bonds3

About [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid

[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid (PubChem CID 123423217) has the molecular formula C7H11BN2O4S and a molecular weight of 230.05 g/mol. Its IUPAC name is [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid
PubChem CID123423217
Molecular FormulaC7H11BN2O4S
Molecular Weight230.05 g/mol
Exact Mass230.05
IUPAC Name[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid
SMILESCN(c1ncccc1B(O)O)S(C)(=O)=O
InChIInChI=1S/C7H11BN2O4S/c1-10(15(2,13)14)7-6(8(11)12)4-3-5-9-7/h3-5,11-12H,1-2H3
InChIKeyWFHYNUXEEPZVLJ-UHFFFAOYSA-N
XLogP-1.84
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[methyl(methylsulfonyl)amino]-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 [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid?
The IUPAC name of [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid (CID 123423217) is [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid.
What is the SMILES notation for [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid?
The canonical SMILES for [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid is CN(c1ncccc1B(O)O)S(C)(=O)=O.
What is the InChIKey of [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid?
The InChIKey is WFHYNUXEEPZVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BN2O4S/c1-10(15(2,13)14)7-6(8(11)12)4-3-5-9-7/h3-5,11-12H,1-2H3.
What are the key properties of [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid?
[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid has a molecular weight of 230.05 g/mol, XLogP of -1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid is sourced from PubChem (CID 123423217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).