ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate

C9H17NO5S — CID 64993843

IUPACethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC(C)C(=O)CC
InChIInChI=1S/C9H17NO5S/c1-4-8(11)7(3)10-16(13,14)6-9(12)15-5-2/h7,10H,4-6H2,1-3H3
InChIKeyCGSFTHAJCPAING-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.16
Rot. Bonds7

About ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate

ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate (PubChem CID 64993843) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate
PubChem CID64993843
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Nameethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC(C)C(=O)CC
InChIInChI=1S/C9H17NO5S/c1-4-8(11)7(3)10-16(13,14)6-9(12)15-5-2/h7,10H,4-6H2,1-3H3
InChIKeyCGSFTHAJCPAING-UHFFFAOYSA-N
XLogP-0.16
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate
CID 64994359
ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate
CID 113317141
5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
CID 61456673
ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate
CID 65189082
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
CID 66108874
ethyl 2-[1-(3-aminophenyl)ethylsulfamoyl]acetate
CID 61456809
ethyl 4-methyl-3,5-dioxoheptanoate
CID 169440232
ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate
CID 82842273
ethyl propanoate;methanesulfonic acid
CID 159764839
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61457000
ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 61022871

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate?
The IUPAC name of ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate (CID 64993843) is ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate is CCOC(=O)CS(=O)(=O)NC(C)C(=O)CC.
What is the InChIKey of ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate?
The InChIKey is CGSFTHAJCPAING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-4-8(11)7(3)10-16(13,14)6-9(12)15-5-2/h7,10H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate?
ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate has a molecular weight of 251.30 g/mol, XLogP of -0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate is sourced from PubChem (CID 64993843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).