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

C11H19NO6S — CID 61358761

IUPAC2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
SMILESCOC(=O)CS(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO6S/c1-18-9(13)7-19(16,17)12-10(11(14)15)8-5-3-2-4-6-8/h8,10,12H,2-7H2,1H3,(H,14,15)
InChIKeyWMTHIOLLIQSZHV-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.11
Rot. Bonds6

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

2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid (PubChem CID 61358761) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
PubChem CID61358761
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
SMILESCOC(=O)CS(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO6S/c1-18-9(13)7-19(16,17)12-10(11(14)15)8-5-3-2-4-6-8/h8,10,12H,2-7H2,1H3,(H,14,15)
InChIKeyWMTHIOLLIQSZHV-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 2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid (CID 61358761) is 2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid is COC(=O)CS(=O)(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid?
The InChIKey is WMTHIOLLIQSZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-18-9(13)7-19(16,17)12-10(11(14)15)8-5-3-2-4-6-8/h8,10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid?
2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic 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-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid is sourced from PubChem (CID 61358761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).