4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid

C11H19NO6S — CID 61457089

IUPAC4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO6S/c1-2-18-10(13)7-19(16,17)12-9-5-3-8(4-6-9)11(14)15/h8-9,12H,2-7H2,1H3,(H,14,15)
InChIKeyHHCCQVQGQDRRSK-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.11
Rot. Bonds6

About 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 61457089) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID61457089
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO6S/c1-2-18-10(13)7-19(16,17)12-9-5-3-8(4-6-9)11(14)15/h8-9,12H,2-7H2,1H3,(H,14,15)
InChIKeyHHCCQVQGQDRRSK-UHFFFAOYSA-N
XLogP0.11
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
CID 61457539
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818002
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate
CID 54951423
ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
CID 61457574
ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid
CID 174958669
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate
CID 112690080
ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate
CID 62963269
ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate
CID 52873250

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 61457089) is 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid is CCOC(=O)CS(=O)(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HHCCQVQGQDRRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-2-18-10(13)7-19(16,17)12-9-5-3-8(4-6-9)11(14)15/h8-9,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61457089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).