ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate

C9H19NO5S — CID 66108874

IUPACethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NCC(C)CCO
InChIInChI=1S/C9H19NO5S/c1-3-15-9(12)7-16(13,14)10-6-8(2)4-5-11/h8,10-11H,3-7H2,1-2H3
InChIKeyHRSWRURGDFKMJB-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.51
Rot. Bonds8

About ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate

ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate (PubChem CID 66108874) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
PubChem CID66108874
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Nameethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NCC(C)CCO
InChIInChI=1S/C9H19NO5S/c1-3-15-9(12)7-16(13,14)10-6-8(2)4-5-11/h8,10-11H,3-7H2,1-2H3
InChIKeyHRSWRURGDFKMJB-UHFFFAOYSA-N
XLogP-0.51
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate
CID 113317141
(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835309
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide
CID 79673093
ethyl 2-(2-methoxyethylsulfamoyl)acetate
CID 62544965
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methylbutanoic acid
CID 81065562
ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate
CID 64993843
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane
CID 66108866
ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
CID 61457286

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate (CID 66108874) is ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)NCC(C)CCO.
What is the InChIKey of ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate?
The InChIKey is HRSWRURGDFKMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-3-15-9(12)7-16(13,14)10-6-8(2)4-5-11/h8,10-11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate?
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate has a molecular weight of 253.32 g/mol, XLogP of -0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate is sourced from PubChem (CID 66108874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).