2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid

C12H21NO6S — CID 86736507

IUPAC2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCS(=O)(=O)ONC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H21NO6S/c1-2-20(17,18)19-13-10(14)8-12(9-11(15)16)6-4-3-5-7-12/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyIOZPPBLJJAPKNI-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.20
Rot. Bonds7

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

2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 86736507) has the molecular formula C12H21NO6S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID86736507
Molecular FormulaC12H21NO6S
Molecular Weight307.37 g/mol
Exact Mass307.11
IUPAC Name2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCS(=O)(=O)ONC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H21NO6S/c1-2-20(17,18)19-13-10(14)8-12(9-11(15)16)6-4-3-5-7-12/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyIOZPPBLJJAPKNI-UHFFFAOYSA-N
XLogP1.20
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 60941962
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 107846666
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071499

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid (CID 86736507) is 2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid is CCS(=O)(=O)ONC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is IOZPPBLJJAPKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6S/c1-2-20(17,18)19-13-10(14)8-12(9-11(15)16)6-4-3-5-7-12/h2-9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 307.37 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 86736507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).