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

C11H19NO6S — CID 64818002

IUPAC2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO6S/c1-2-18-10(13)7-19(16,17)12-9-6-4-3-5-8(9)11(14)15/h8-9,12H,2-7H2,1H3,(H,14,15)
InChIKeyCWNGENONNXUQAF-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.11
Rot. Bonds6

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

2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 64818002) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID64818002
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO6S/c1-2-18-10(13)7-19(16,17)12-9-6-4-3-5-8(9)11(14)15/h8-9,12H,2-7H2,1H3,(H,14,15)
InChIKeyCWNGENONNXUQAF-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

ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate
CID 62963269
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816256
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816642
ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
CID 61457539
ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 19815319
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724
2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816835
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid
CID 114806690
2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978993

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 64818002) is 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid is CCOC(=O)CS(=O)(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CWNGENONNXUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-2-18-10(13)7-19(16,17)12-9-6-4-3-5-8(9)11(14)15/h8-9,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid?
2-[(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 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64818002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).