2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid

C11H19NO6S — CID 64699783

IUPAC2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
SMILESCOC(=O)CS(=O)(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H19NO6S/c1-18-10(15)8-19(16,17)12-11(7-9(13)14)5-3-2-4-6-11/h12H,2-8H2,1H3,(H,13,14)
InChIKeyOMLRKUZCHLIKKO-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.26
Rot. Bonds6

About 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid

2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid (PubChem CID 64699783) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
PubChem CID64699783
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
SMILESCOC(=O)CS(=O)(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H19NO6S/c1-18-10(15)8-19(16,17)12-11(7-9(13)14)5-3-2-4-6-11/h12H,2-8H2,1H3,(H,13,14)
InChIKeyOMLRKUZCHLIKKO-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
CID 79846124
2-[1-(sulfamoylamino)cyclohexyl]acetic acid
CID 114958917
2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
CID 64700173
methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
CID 61358180
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
CID 114806665
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110
2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid
CID 64700765
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid (CID 64699783) is 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid is COC(=O)CS(=O)(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid?
The InChIKey is OMLRKUZCHLIKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-18-10(15)8-19(16,17)12-11(7-9(13)14)5-3-2-4-6-11/h12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid?
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 64699783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).