ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate

C12H25NO5S — CID 103844785

IUPACethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCC(CC)(CC)CO
InChIInChI=1S/C12H25NO5S/c1-4-12(5-2,10-14)9-13-19(16,17)8-7-11(15)18-6-3/h13-14H,4-10H2,1-3H3
InChIKeyYCGJBLIQIJXFHX-UHFFFAOYSA-N
MW295.40 g/mol
LogP0.66
Rot. Bonds10

About ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate

ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate (PubChem CID 103844785) has the molecular formula C12H25NO5S and a molecular weight of 295.40 g/mol. Its IUPAC name is ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
PubChem CID103844785
Molecular FormulaC12H25NO5S
Molecular Weight295.40 g/mol
Exact Mass295.15
IUPAC Nameethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCC(CC)(CC)CO
InChIInChI=1S/C12H25NO5S/c1-4-12(5-2,10-14)9-13-19(16,17)8-7-11(15)18-6-3/h13-14H,4-10H2,1-3H3
InChIKeyYCGJBLIQIJXFHX-UHFFFAOYSA-N
XLogP0.66
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate 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-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide
CID 103844842
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
CID 113334739
ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
CID 64557036
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
ethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]butanoate
CID 81418963
1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
CID 106258700
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834
ethyl 3-(2-aminobutylsulfamoyl)propanoate
CID 63730554
ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate
CID 63888007
ethyl 3-(2-cyanoethylsulfamoyl)propanoate
CID 62653299
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
ethyl 3-(3-cyanopentan-3-ylsulfamoyl)propanoate
CID 54951320

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate (CID 103844785) is ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NCC(CC)(CC)CO.
What is the InChIKey of ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate?
The InChIKey is YCGJBLIQIJXFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5S/c1-4-12(5-2,10-14)9-13-19(16,17)8-7-11(15)18-6-3/h13-14H,4-10H2,1-3H3.
What are the key properties of ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate?
ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate has a molecular weight of 295.40 g/mol, XLogP of 0.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate is sourced from PubChem (CID 103844785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).