2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide

C9H18NO4S- — CID 59465018

IUPAC2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide
SMILESCCC(C)C(=O)NC(C)(C)CSOO[O-]
InChIInChI=1S/C9H19NO4S/c1-5-7(2)8(11)10-9(3,4)6-15-14-13-12/h7,12H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyYOZVYGPCWIHHDZ-UHFFFAOYSA-M
MW236.31 g/mol
LogP0.80
Rot. Bonds7

About 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide

2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide (PubChem CID 59465018) has the molecular formula C9H18NO4S- and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide
PubChem CID59465018
Molecular FormulaC9H18NO4S-
Molecular Weight236.31 g/mol
Exact Mass236.10
IUPAC Name2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide
SMILESCCC(C)C(=O)NC(C)(C)CSOO[O-]
InChIInChI=1S/C9H19NO4S/c1-5-7(2)8(11)10-9(3,4)6-15-14-13-12/h7,12H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyYOZVYGPCWIHHDZ-UHFFFAOYSA-M
XLogP0.80
TPSA70.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide?
The IUPAC name of 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide (CID 59465018) is 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide is CCC(C)C(=O)NC(C)(C)CSOO[O-].
What is the InChIKey of 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide?
The InChIKey is YOZVYGPCWIHHDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO4S/c1-5-7(2)8(11)10-9(3,4)6-15-14-13-12/h7,12H,5-6H2,1-4H3,(H,10,11)/p-1.
What are the key properties of 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide?
2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide has a molecular weight of 236.31 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)butanamide is sourced from PubChem (CID 59465018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).