4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid

C13H25NO4S — CID 54907139

IUPAC4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid
SMILESCCC1CCC(N(C)S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C13H25NO4S/c1-3-11-6-8-12(9-7-11)14(2)19(17,18)10-4-5-13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyMGIZLRLSJFIIMZ-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.08
Rot. Bonds7

About 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid

4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid (PubChem CID 54907139) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid
PubChem CID54907139
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Name4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid
SMILESCCC1CCC(N(C)S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C13H25NO4S/c1-3-11-6-8-12(9-7-11)14(2)19(17,18)10-4-5-13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyMGIZLRLSJFIIMZ-UHFFFAOYSA-N
XLogP2.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid (CID 54907139) is 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid is CCC1CCC(N(C)S(=O)(=O)CCCC(=O)O)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid?
The InChIKey is MGIZLRLSJFIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-3-11-6-8-12(9-7-11)14(2)19(17,18)10-4-5-13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid?
4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid has a molecular weight of 291.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoic acid is sourced from PubChem (CID 54907139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).