ethoxy-[1-(methanesulfonamido)ethyl]borinic acid

C5H14BNO4S — CID 123779918

IUPACethoxy-[1-(methanesulfonamido)ethyl]borinic acid
SMILESCCOB(O)C(C)NS(C)(=O)=O
InChIInChI=1S/C5H14BNO4S/c1-4-11-6(8)5(2)7-12(3,9)10/h5,7-8H,4H2,1-3H3
InChIKeyRHFMYJTUBCSIFX-UHFFFAOYSA-N
MW195.05 g/mol
LogP-1.02
Rot. Bonds5

About ethoxy-[1-(methanesulfonamido)ethyl]borinic acid

ethoxy-[1-(methanesulfonamido)ethyl]borinic acid (PubChem CID 123779918) has the molecular formula C5H14BNO4S and a molecular weight of 195.05 g/mol. Its IUPAC name is ethoxy-[1-(methanesulfonamido)ethyl]borinic acid.

Molecular Properties

Compound Nameethoxy-[1-(methanesulfonamido)ethyl]borinic acid
PubChem CID123779918
Molecular FormulaC5H14BNO4S
Molecular Weight195.05 g/mol
Exact Mass195.07
IUPAC Nameethoxy-[1-(methanesulfonamido)ethyl]borinic acid
SMILESCCOB(O)C(C)NS(C)(=O)=O
InChIInChI=1S/C5H14BNO4S/c1-4-11-6(8)5(2)7-12(3,9)10/h5,7-8H,4H2,1-3H3
InChIKeyRHFMYJTUBCSIFX-UHFFFAOYSA-N
XLogP-1.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[1-(methanesulfonamido)ethyl]borinic acid?
The IUPAC name of ethoxy-[1-(methanesulfonamido)ethyl]borinic acid (CID 123779918) is ethoxy-[1-(methanesulfonamido)ethyl]borinic acid.
What is the SMILES notation for ethoxy-[1-(methanesulfonamido)ethyl]borinic acid?
The canonical SMILES for ethoxy-[1-(methanesulfonamido)ethyl]borinic acid is CCOB(O)C(C)NS(C)(=O)=O.
What is the InChIKey of ethoxy-[1-(methanesulfonamido)ethyl]borinic acid?
The InChIKey is RHFMYJTUBCSIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14BNO4S/c1-4-11-6(8)5(2)7-12(3,9)10/h5,7-8H,4H2,1-3H3.
What are the key properties of ethoxy-[1-(methanesulfonamido)ethyl]borinic acid?
ethoxy-[1-(methanesulfonamido)ethyl]borinic acid has a molecular weight of 195.05 g/mol, XLogP of -1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[1-(methanesulfonamido)ethyl]borinic acid is sourced from PubChem (CID 123779918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).