2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate

C10H19NO5S — CID 59440547

IUPAC2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate
SMILESCCC(C)(C)C(=O)NS(=O)(=O)CCOC(C)=O
InChIInChI=1S/C10H19NO5S/c1-5-10(3,4)9(13)11-17(14,15)7-6-16-8(2)12/h5-7H2,1-4H3,(H,11,13)
InChIKeyAEOQAKJPACFQGE-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.43
Rot. Bonds6

About 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate

2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate (PubChem CID 59440547) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate.

Molecular Properties

Compound Name2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate
PubChem CID59440547
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate
SMILESCCC(C)(C)C(=O)NS(=O)(=O)CCOC(C)=O
InChIInChI=1S/C10H19NO5S/c1-5-10(3,4)9(13)11-17(14,15)7-6-16-8(2)12/h5-7H2,1-4H3,(H,11,13)
InChIKeyAEOQAKJPACFQGE-UHFFFAOYSA-N
XLogP0.43
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Fluoropropyl 2-(butanoylsulfamoyl)acetate
CID 163848299
2-(2,2-Dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate
CID 167650689
Ethyl 2,2-dimethyl-4-sulfamoylbutanoate
CID 10775463
3-(Ethylsulfamoyl)propyl 2,2-dimethylbutanoate
CID 23518154
2-(Methylsulfamoyl)ethyl 2,2-dimethylbutanoate
CID 57574419
Tert-butyl 3-(2,2-dimethylbutanoylsulfamoyl)propanoate
CID 59440481
3-(Methylsulfamoyl)propyl 2,2-dimethylbutanoate
CID 59440485
2-Sulfamoylethyl 2,2-dimethylbutanoate
CID 59806864
N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide
CID 71033497
3-(Cyanosulfamoyl)propyl 2,2-dimethylbutanoate
CID 118553180
Methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate
CID 102564053
Methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate
CID 103460357

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate?
The IUPAC name of 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate (CID 59440547) is 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate.
What is the SMILES notation for 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate?
The canonical SMILES for 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate is CCC(C)(C)C(=O)NS(=O)(=O)CCOC(C)=O.
What is the InChIKey of 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate?
The InChIKey is AEOQAKJPACFQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-5-10(3,4)9(13)11-17(14,15)7-6-16-8(2)12/h5-7H2,1-4H3,(H,11,13).
What are the key properties of 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate?
2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate has a molecular weight of 265.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutanoylsulfamoyl)ethyl acetate is sourced from PubChem (CID 59440547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).