ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate

C11H23NO4S — CID 59634219

IUPACethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate
SMILESCCCCN(C)S(=O)(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C11H23NO4S/c1-6-8-9-12(5)17(14,15)11(3,4)10(13)16-7-2/h6-9H2,1-5H3
InChIKeyGBWDDPGKGMSUJC-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.39
Rot. Bonds7

About ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate

ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate (PubChem CID 59634219) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate
PubChem CID59634219
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate
SMILESCCCCN(C)S(=O)(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C11H23NO4S/c1-6-8-9-12(5)17(14,15)11(3,4)10(13)16-7-2/h6-9H2,1-5H3
InChIKeyGBWDDPGKGMSUJC-UHFFFAOYSA-N
XLogP1.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanoate
CID 59267912
Ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate
CID 68785208
2-(Azetidine-1-sulfonyl)-2-methyl-propionic acid ethyl ester
CID 59267897
Ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate
CID 59634193
Ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate
CID 59634197
Ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate
CID 59634203
Ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate
CID 59634271
Ethyl 2-(butylsulfamoyl)-2-methylpropanoate
CID 59634292
Ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate
CID 59634321
2-[Butyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 59634323
Ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate
CID 59634339
Ethyl 2-(dimethylsulfamoyl)-2-methylpropanoate
CID 59634345

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate (CID 59634219) is ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate is CCCCN(C)S(=O)(=O)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate?
The InChIKey is GBWDDPGKGMSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-6-8-9-12(5)17(14,15)11(3,4)10(13)16-7-2/h6-9H2,1-5H3.
What are the key properties of ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate?
ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate has a molecular weight of 265.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate is sourced from PubChem (CID 59634219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).