4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C12H22N2O5S — CID 106341830

IUPAC4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCNS(=O)(=O)CCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O5S/c1-2-14-20(18,19)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17/h9-10,14H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyKSTGRNKGIMMIDJ-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.07
Rot. Bonds7

About 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 106341830) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID106341830
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCNS(=O)(=O)CCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O5S/c1-2-14-20(18,19)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17/h9-10,14H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyKSTGRNKGIMMIDJ-UHFFFAOYSA-N
XLogP-0.07
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylsulfonylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784503
4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672900
3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114174954
3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114174958
N-[2-(ethylsulfamoyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113233795
N-[2-(butylsulfonylamino)ethyl]cyclopropanecarboxamide
CID 108573610
N-(2-methylsulfonylethyl)cyclopropanecarboxamide
CID 61066556
(2R)-N-[2-(ethylsulfamoyl)ethyl]pyrrolidine-2-carboxamide
CID 103796458
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
N-[2-(ethylsulfamoyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 103822199
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 106341830) is 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CCNS(=O)(=O)CCNC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KSTGRNKGIMMIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-2-14-20(18,19)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17/h9-10,14H,2-8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106341830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).