ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate

C11H23NO5S — CID 113317141

IUPACethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C11H23NO5S/c1-5-17-10(14)8-18(15,16)12-9(6-7-13)11(2,3)4/h9,12-13H,5-8H2,1-4H3
InChIKeyJZYWACNGODUFHO-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.27
Rot. Bonds7

About ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate

ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate (PubChem CID 113317141) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate
PubChem CID113317141
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Nameethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C11H23NO5S/c1-5-17-10(14)8-18(15,16)12-9(6-7-13)11(2,3)4/h9,12-13H,5-8H2,1-4H3
InChIKeyJZYWACNGODUFHO-UHFFFAOYSA-N
XLogP0.27
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate 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

methyl 3-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]propanoate
CID 106353436
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-methylsulfonylmethanesulfonamide
CID 106353433
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
CID 66108874
ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate
CID 64993843
5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
CID 61456673
ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate
CID 65189082
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835309
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
CID 103833861
methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate
CID 61457694
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61459403
ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383986

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate (CID 113317141) is ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate?
The InChIKey is JZYWACNGODUFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-5-17-10(14)8-18(15,16)12-9(6-7-13)11(2,3)4/h9,12-13H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate?
ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate has a molecular weight of 281.37 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate is sourced from PubChem (CID 113317141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).