1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one

C9H20N2O4S — CID 114815341

IUPAC1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
SMILESCOCCNS(=O)(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-9(2,3)8(12)7-11-16(13,14)10-5-6-15-4/h10-11H,5-7H2,1-4H3
InChIKeyMUHOPHDLCXDULP-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.33
Rot. Bonds7

About 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one

1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one (PubChem CID 114815341) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
PubChem CID114815341
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
SMILESCOCCNS(=O)(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-9(2,3)8(12)7-11-16(13,14)10-5-6-15-4/h10-11H,5-7H2,1-4H3
InChIKeyMUHOPHDLCXDULP-UHFFFAOYSA-N
XLogP-0.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one 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'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
CID 104978766
2-(2-methoxyethylsulfamoylamino)-1-phenylethanone
CID 114815339
4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol
CID 106143688
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114814539
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide
CID 114815221
2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid
CID 114814756

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one (CID 114815341) is 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one is COCCNS(=O)(=O)NCC(=O)C(C)(C)C.
What is the InChIKey of 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one?
The InChIKey is MUHOPHDLCXDULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-9(2,3)8(12)7-11-16(13,14)10-5-6-15-4/h10-11H,5-7H2,1-4H3.
What are the key properties of 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one?
1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one has a molecular weight of 252.34 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 114815341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).