ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate

C11H19NO5S — CID 54951423

IUPACethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C11H19NO5S/c1-2-17-11(14)7-8-18(15,16)12-9-3-5-10(13)6-4-9/h9,12H,2-8H2,1H3
InChIKeyCHRAZCVPZBONKR-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.37
Rot. Bonds6

About ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate

ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate (PubChem CID 54951423) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate
PubChem CID54951423
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Nameethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C11H19NO5S/c1-2-17-11(14)7-8-18(15,16)12-9-3-5-10(13)6-4-9/h9,12H,2-8H2,1H3
InChIKeyCHRAZCVPZBONKR-UHFFFAOYSA-N
XLogP0.37
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate
CID 61459369
2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide
CID 63245791
ethyl N-(4-oxocyclohexyl)carbamate
CID 12546192
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
CID 54951121
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
CID 61457539
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 103270353
ethyl 3-(2-aminobutylsulfamoyl)propanoate
CID 63730554
ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate
CID 63888007
ethyl 3-methylsulfonylpropanoate
CID 58565961

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate (CID 54951423) is ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NC1CCC(=O)CC1.
What is the InChIKey of ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate?
The InChIKey is CHRAZCVPZBONKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-2-17-11(14)7-8-18(15,16)12-9-3-5-10(13)6-4-9/h9,12H,2-8H2,1H3.
What are the key properties of ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate?
ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate has a molecular weight of 277.34 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate is sourced from PubChem (CID 54951423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).