[(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid

C5H14BNO4S — CID 71549456

IUPAC[(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid
SMILESCC(C)[C@H](NS(C)(=O)=O)B(O)O
InChIInChI=1S/C5H14BNO4S/c1-4(2)5(6(8)9)7-12(3,10)11/h4-5,7-9H,1-3H3/t5-/m0/s1
InChIKeyXDIKQSHKGQZOCQ-YFKPBYRVSA-N
MW195.05 g/mol
LogP-1.43
Rot. Bonds4

About [(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid

[(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid (PubChem CID 71549456) has the molecular formula C5H14BNO4S and a molecular weight of 195.05 g/mol. Its IUPAC name is [(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid
PubChem CID71549456
Molecular FormulaC5H14BNO4S
Molecular Weight195.05 g/mol
Exact Mass195.07
IUPAC Name[(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid
SMILESCC(C)[C@H](NS(C)(=O)=O)B(O)O
InChIInChI=1S/C5H14BNO4S/c1-4(2)5(6(8)9)7-12(3,10)11/h4-5,7-9H,1-3H3/t5-/m0/s1
InChIKeyXDIKQSHKGQZOCQ-YFKPBYRVSA-N
XLogP-1.43
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 5-1.43
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)-2-methylpropyl]boronic acid?
The IUPAC name of [(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid (CID 71549456) is [(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid.
What is the SMILES notation for [(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid?
The canonical SMILES for [(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid is CC(C)[C@H](NS(C)(=O)=O)B(O)O.
What is the InChIKey of [(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid?
The InChIKey is XDIKQSHKGQZOCQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H14BNO4S/c1-4(2)5(6(8)9)7-12(3,10)11/h4-5,7-9H,1-3H3/t5-/m0/s1.
What are the key properties of [(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid?
[(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid has a molecular weight of 195.05 g/mol, XLogP of -1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(methanesulfonamido)-2-methylpropyl]boronic acid is sourced from PubChem (CID 71549456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).