ethyl 2,2-diethyl-5-sulfamoylpentanoate

C11H23NO4S — CID 10849317

IUPACethyl 2,2-diethyl-5-sulfamoylpentanoate
SMILESCCOC(=O)C(CC)(CC)CCCS(N)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-4-11(5-2,10(13)16-6-3)8-7-9-17(12,14)15/h4-9H2,1-3H3,(H2,12,14,15)
InChIKeyRPBAKCQVYAQSIY-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.42
Rot. Bonds8

About ethyl 2,2-diethyl-5-sulfamoylpentanoate

ethyl 2,2-diethyl-5-sulfamoylpentanoate (PubChem CID 10849317) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is ethyl 2,2-diethyl-5-sulfamoylpentanoate.

Molecular Properties

Compound Nameethyl 2,2-diethyl-5-sulfamoylpentanoate
PubChem CID10849317
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Nameethyl 2,2-diethyl-5-sulfamoylpentanoate
SMILESCCOC(=O)C(CC)(CC)CCCS(N)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-4-11(5-2,10(13)16-6-3)8-7-9-17(12,14)15/h4-9H2,1-3H3,(H2,12,14,15)
InChIKeyRPBAKCQVYAQSIY-UHFFFAOYSA-N
XLogP1.42
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Trifluoromethylsulfonylsulfamoyl)propyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 122683807
Ammonium 1-[(2-ethylhexyl)oxy]-1-oxohexane-2-sulfonate
CID 73556148
Ethyl 5-aminosulfonyl-2,2-dimethylvalerate
CID 10585962
3-Acetoxy-2,2-diethyl-1-propanesulfonamide
CID 10609927
Ethyl 2,2-diethyl-6-sulfamoylhexanoate
CID 10636407
Methyl 4,4-dimethyl-6-sulfamoylhexanoate
CID 10681366
Ethyl 2,2-dimethyl-6-sulfamoylhexanoate
CID 10682195
Methyl 3,3-dimethyl-5-sulfamoylpentanoate
CID 10704317
Ethyl 2,2-dimethyl-4-sulfamoylbutanoate
CID 10775463
Ethyl 2,2-diethyl-4-sulfamoylbutanoate
CID 10848366
Ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate
CID 18988135
5-(2,2-Dimethylbutanoyloxy)pentane-1-sulfonate
CID 58545334

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-diethyl-5-sulfamoylpentanoate?
The IUPAC name of ethyl 2,2-diethyl-5-sulfamoylpentanoate (CID 10849317) is ethyl 2,2-diethyl-5-sulfamoylpentanoate.
What is the SMILES notation for ethyl 2,2-diethyl-5-sulfamoylpentanoate?
The canonical SMILES for ethyl 2,2-diethyl-5-sulfamoylpentanoate is CCOC(=O)C(CC)(CC)CCCS(N)(=O)=O.
What is the InChIKey of ethyl 2,2-diethyl-5-sulfamoylpentanoate?
The InChIKey is RPBAKCQVYAQSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-11(5-2,10(13)16-6-3)8-7-9-17(12,14)15/h4-9H2,1-3H3,(H2,12,14,15).
What are the key properties of ethyl 2,2-diethyl-5-sulfamoylpentanoate?
ethyl 2,2-diethyl-5-sulfamoylpentanoate has a molecular weight of 265.37 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-diethyl-5-sulfamoylpentanoate is sourced from PubChem (CID 10849317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).