N-hydroxy-2-methyl-3-methylsulfonylbutanamide

C6H13NO4S — CID 20684752

IUPACN-hydroxy-2-methyl-3-methylsulfonylbutanamide
SMILESCC(C(=O)NO)C(C)S(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-4(6(8)7-9)5(2)12(3,10)11/h4-5,9H,1-3H3,(H,7,8)
InChIKeyZFVIUPQAARWWGN-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.44
Rot. Bonds3

About N-hydroxy-2-methyl-3-methylsulfonylbutanamide

N-hydroxy-2-methyl-3-methylsulfonylbutanamide (PubChem CID 20684752) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-hydroxy-2-methyl-3-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-3-methylsulfonylbutanamide
PubChem CID20684752
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC NameN-hydroxy-2-methyl-3-methylsulfonylbutanamide
SMILESCC(C(=O)NO)C(C)S(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-4(6(8)7-9)5(2)12(3,10)11/h4-5,9H,1-3H3,(H,7,8)
InChIKeyZFVIUPQAARWWGN-UHFFFAOYSA-N
XLogP-0.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-3-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-3-methylsulfonylbutanamide (CID 20684752) is N-hydroxy-2-methyl-3-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-3-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-3-methylsulfonylbutanamide is CC(C(=O)NO)C(C)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-3-methylsulfonylbutanamide?
The InChIKey is ZFVIUPQAARWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-4(6(8)7-9)5(2)12(3,10)11/h4-5,9H,1-3H3,(H,7,8).
What are the key properties of N-hydroxy-2-methyl-3-methylsulfonylbutanamide?
N-hydroxy-2-methyl-3-methylsulfonylbutanamide has a molecular weight of 195.24 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-3-methylsulfonylbutanamide is sourced from PubChem (CID 20684752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).