4-[cyclohexyl(methyl)sulfamoyl]butanoic acid

C11H21NO4S — CID 43209537

IUPAC4-[cyclohexyl(methyl)sulfamoyl]butanoic acid
SMILESCN(C1CCCCC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-12(10-6-3-2-4-7-10)17(15,16)9-5-8-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyKCTMZADWLXQCDS-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.45
Rot. Bonds6

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

4-[cyclohexyl(methyl)sulfamoyl]butanoic acid (PubChem CID 43209537) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]butanoic acid
PubChem CID43209537
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]butanoic acid
SMILESCN(C1CCCCC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-12(10-6-3-2-4-7-10)17(15,16)9-5-8-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyKCTMZADWLXQCDS-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]butanoic acid (CID 43209537) is 4-[cyclohexyl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]butanoic acid is CN(C1CCCCC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]butanoic acid?
The InChIKey is KCTMZADWLXQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-12(10-6-3-2-4-7-10)17(15,16)9-5-8-11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]butanoic acid?
4-[cyclohexyl(methyl)sulfamoyl]butanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43209537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).