4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid

C12H23NO4S — CID 43711222

IUPAC4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid
SMILESCCC1CCCCC1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H23NO4S/c1-2-10-6-3-4-7-11(10)13-18(16,17)9-5-8-12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyRKLBUESEMQIETI-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.74
Rot. Bonds7

About 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid

4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid (PubChem CID 43711222) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid
PubChem CID43711222
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid
SMILESCCC1CCCCC1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H23NO4S/c1-2-10-6-3-4-7-11(10)13-18(16,17)9-5-8-12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyRKLBUESEMQIETI-UHFFFAOYSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
CID 107216293
4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
CID 116815650
4-[(4-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 54955484
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
CID 63258358
N-(2-ethylcyclohexyl)-2-piperidin-2-ylethanesulfonamide
CID 61468215
6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
CID 61468058
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
4-(1-cyclohexylethylsulfamoyl)butanoic acid
CID 62406651
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
N-(2-ethylcyclohexyl)azepane-1-sulfonamide
CID 47030327
4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
CID 61211429

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid (CID 43711222) is 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid is CCC1CCCCC1NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid?
The InChIKey is RKLBUESEMQIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-2-10-6-3-4-7-11(10)13-18(16,17)9-5-8-12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid?
4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid has a molecular weight of 277.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43711222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).