2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide

C9H20N2O4S — CID 167077312

IUPAC2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide
SMILESCC(C)C(=O)NS(=O)(=O)NOC(C)C(C)C
InChIInChI=1S/C9H20N2O4S/c1-6(2)8(5)15-11-16(13,14)10-9(12)7(3)4/h6-8,11H,1-5H3,(H,10,12)
InChIKeyFCUBEXDQKHUJKG-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.57
Rot. Bonds6

About 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide

2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide (PubChem CID 167077312) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide
PubChem CID167077312
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide
SMILESCC(C)C(=O)NS(=O)(=O)NOC(C)C(C)C
InChIInChI=1S/C9H20N2O4S/c1-6(2)8(5)15-11-16(13,14)10-9(12)7(3)4/h6-8,11H,1-5H3,(H,10,12)
InChIKeyFCUBEXDQKHUJKG-UHFFFAOYSA-N
XLogP0.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propan-2-ylsulfonothioylpropanamide
CID 135195626
N-tert-butylsulfonyl-2-methylpropanamide
CID 118535406
propyl N-(2-methylpropanoyl)sulfamate
CID 174385988
3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
CID 59170374
3-methylbutan-2-yl hydrogen sulfate
CID 87155723
1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid
CID 140922620
2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide
CID 176788202
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
N-propan-2-ylsulfonylacetamide
CID 18730103
methyl N-(2-methylpropanoyl)carbamate
CID 59279110
N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 88555810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide?
The IUPAC name of 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide (CID 167077312) is 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide?
The canonical SMILES for 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide is CC(C)C(=O)NS(=O)(=O)NOC(C)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide?
The InChIKey is FCUBEXDQKHUJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-6(2)8(5)15-11-16(13,14)10-9(12)7(3)4/h6-8,11H,1-5H3,(H,10,12).
What are the key properties of 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide?
2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide has a molecular weight of 252.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide is sourced from PubChem (CID 167077312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).