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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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).