[(1R)-1-(methanesulfonamido)ethyl]boronic acid

C3H10BNO4S — CID 71549454

IUPAC[(1R)-1-(methanesulfonamido)ethyl]boronic acid
SMILESC[C@H](NS(C)(=O)=O)B(O)O
InChIInChI=1S/C3H10BNO4S/c1-3(4(6)7)5-10(2,8)9/h3,5-7H,1-2H3/t3-/m0/s1
InChIKeyLBALBDULCPLUSS-VKHMYHEASA-N
MW166.99 g/mol
LogP-2.06
Rot. Bonds3

About [(1R)-1-(methanesulfonamido)ethyl]boronic acid

[(1R)-1-(methanesulfonamido)ethyl]boronic acid (PubChem CID 71549454) has the molecular formula C3H10BNO4S and a molecular weight of 166.99 g/mol. Its IUPAC name is [(1R)-1-(methanesulfonamido)ethyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-(methanesulfonamido)ethyl]boronic acid
PubChem CID71549454
Molecular FormulaC3H10BNO4S
Molecular Weight166.99 g/mol
Exact Mass167.04
IUPAC Name[(1R)-1-(methanesulfonamido)ethyl]boronic acid
SMILESC[C@H](NS(C)(=O)=O)B(O)O
InChIInChI=1S/C3H10BNO4S/c1-3(4(6)7)5-10(2,8)9/h3,5-7H,1-2H3/t3-/m0/s1
InChIKeyLBALBDULCPLUSS-VKHMYHEASA-N
XLogP-2.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.99
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
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 [(1R)-1-(methanesulfonamido)ethyl]boronic acid?
The IUPAC name of [(1R)-1-(methanesulfonamido)ethyl]boronic acid (CID 71549454) is [(1R)-1-(methanesulfonamido)ethyl]boronic acid.
What is the SMILES notation for [(1R)-1-(methanesulfonamido)ethyl]boronic acid?
The canonical SMILES for [(1R)-1-(methanesulfonamido)ethyl]boronic acid is C[C@H](NS(C)(=O)=O)B(O)O.
What is the InChIKey of [(1R)-1-(methanesulfonamido)ethyl]boronic acid?
The InChIKey is LBALBDULCPLUSS-VKHMYHEASA-N. The full InChI is InChI=1S/C3H10BNO4S/c1-3(4(6)7)5-10(2,8)9/h3,5-7H,1-2H3/t3-/m0/s1.
What are the key properties of [(1R)-1-(methanesulfonamido)ethyl]boronic acid?
[(1R)-1-(methanesulfonamido)ethyl]boronic acid has a molecular weight of 166.99 g/mol, XLogP of -2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(methanesulfonamido)ethyl]boronic acid is sourced from PubChem (CID 71549454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).