4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

C11H21N3O5S — CID 106340446

IUPAC4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCNS(=O)(=O)CCNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21N3O5S/c1-12-20(18,19)7-6-13-11(17)14-9-4-2-8(3-5-9)10(15)16/h8-9,12H,2-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyTVFLOSFIDYLMNB-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.52
Rot. Bonds6

About 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 106340446) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID106340446
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCNS(=O)(=O)CCNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21N3O5S/c1-12-20(18,19)7-6-13-11(17)14-9-4-2-8(3-5-9)10(15)16/h8-9,12H,2-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyTVFLOSFIDYLMNB-UHFFFAOYSA-N
XLogP-0.52
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea
CID 84523572
1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea
CID 110631840
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114174954
4-(5,5-dimethylhexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000907
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614
4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183538
4-(3-methylbut-2-enylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106191136
4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid
CID 60808705
4-[3-(cyclobutanecarbonylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024453
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 106340446) is 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is CNS(=O)(=O)CCNC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is TVFLOSFIDYLMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-12-20(18,19)7-6-13-11(17)14-9-4-2-8(3-5-9)10(15)16/h8-9,12H,2-7H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of -0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106340446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).