1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C13H24N2O5S — CID 106334798

IUPAC1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O5S/c1-15(2)21(19,20)9-8-14-11(16)10-13(12(17)18)6-4-3-5-7-13/h3-10H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyULORRILJOMPOKB-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.42
Rot. Bonds7

About 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 106334798) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID106334798
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O5S/c1-15(2)21(19,20)9-8-14-11(16)10-13(12(17)18)6-4-3-5-7-13/h3-10H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyULORRILJOMPOKB-UHFFFAOYSA-N
XLogP0.42
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43552024
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43546068
1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 54906188
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62641943
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
1-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54913080
1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62975203
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 106334798) is 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CN(C)S(=O)(=O)CCNC(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is ULORRILJOMPOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-15(2)21(19,20)9-8-14-11(16)10-13(12(17)18)6-4-3-5-7-13/h3-10H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106334798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).