N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide

C8H17NO5S — CID 79676240

IUPACN-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide
SMILESCOCCONC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-8(2,15(4,11)12)7(10)9-14-6-5-13-3/h5-6H2,1-4H3,(H,9,10)
InChIKeyXCWHXOQGESNIGH-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.50
Rot. Bonds6

About N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide

N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 79676240) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide
PubChem CID79676240
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide
SMILESCOCCONC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-8(2,15(4,11)12)7(10)9-14-6-5-13-3/h5-6H2,1-4H3,(H,9,10)
InChIKeyXCWHXOQGESNIGH-UHFFFAOYSA-N
XLogP-0.50
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.50
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'}

Analyze N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyethoxy)ethanesulfonamide
CID 82714483
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide
CID 107845591
2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide
CID 103512686
[(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea
CID 65214617
N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811
N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
CID 79675663
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide
CID 77015080
N-(3-iodopropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114504386
N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 115364914
4-(2-methoxyethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 82706184
2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 81102476

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide (CID 79676240) is N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide is COCCONC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is XCWHXOQGESNIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-8(2,15(4,11)12)7(10)9-14-6-5-13-3/h5-6H2,1-4H3,(H,9,10).
What are the key properties of N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide?
N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 239.29 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 79676240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).