4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid

C12H23NO4S — CID 43362185

IUPAC4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid
SMILESCC1CCC(N(C)S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H23NO4S/c1-10-5-7-11(8-6-10)13(2)18(16,17)9-3-4-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyOPIGZNRGWAFGIS-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.69
Rot. Bonds6

About 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid

4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid (PubChem CID 43362185) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid
PubChem CID43362185
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid
SMILESCC1CCC(N(C)S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H23NO4S/c1-10-5-7-11(8-6-10)13(2)18(16,17)9-3-4-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyOPIGZNRGWAFGIS-UHFFFAOYSA-N
XLogP1.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid (CID 43362185) is 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid is CC1CCC(N(C)S(=O)(=O)CCCC(=O)O)CC1.
What is the InChIKey of 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid?
The InChIKey is OPIGZNRGWAFGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-10-5-7-11(8-6-10)13(2)18(16,17)9-3-4-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid?
4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid has a molecular weight of 277.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43362185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).