(2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid

C11H16BNO6S — CID 142772199

IUPAC(2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1OB(O)O
InChIInChI=1S/C11H16BNO6S/c1-9-2-3-10(8-11(9)19-12(14)15)20(16,17)13-4-6-18-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKeyRZMUMADJUFCHDU-UHFFFAOYSA-N
MW301.13 g/mol
LogP-0.64
Rot. Bonds4

About (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid

(2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid (PubChem CID 142772199) has the molecular formula C11H16BNO6S and a molecular weight of 301.13 g/mol. Its IUPAC name is (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid.

Molecular Properties

Compound Name(2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid
PubChem CID142772199
Molecular FormulaC11H16BNO6S
Molecular Weight301.13 g/mol
Exact Mass301.08
IUPAC Name(2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1OB(O)O
InChIInChI=1S/C11H16BNO6S/c1-9-2-3-10(8-11(9)19-12(14)15)20(16,17)13-4-6-18-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKeyRZMUMADJUFCHDU-UHFFFAOYSA-N
XLogP-0.64
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-methyl-5-morpholin-4-ylsulfonylphenoxy)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

Related Compounds

4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid
CID 131749272
(4-methyl-3-morpholin-4-ylsulfonylphenyl)boronic acid
CID 91759049
(2,6-dimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2679308
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-methyl-4-morpholin-4-ylsulfonylbenzenecarbothioamide
CID 106919912
4-[4-(2,5-dimethylphenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 4261071
N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
(2-methoxy-2-oxoethyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16568663
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740054

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid?
The IUPAC name of (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid (CID 142772199) is (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid.
What is the SMILES notation for (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid?
The canonical SMILES for (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1OB(O)O.
What is the InChIKey of (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid?
The InChIKey is RZMUMADJUFCHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO6S/c1-9-2-3-10(8-11(9)19-12(14)15)20(16,17)13-4-6-18-7-5-13/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid?
(2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid has a molecular weight of 301.13 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid is sourced from PubChem (CID 142772199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).