3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid

C11H22N2O4S — CID 43361692

IUPAC3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-9(8-11(14)15)12-18(16,17)13(2)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyBDPCFRDJIBLILS-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.95
Rot. Bonds6

About 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid

3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid (PubChem CID 43361692) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
PubChem CID43361692
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-9(8-11(14)15)12-18(16,17)13(2)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyBDPCFRDJIBLILS-UHFFFAOYSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid (CID 43361692) is 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid is CC(CC(=O)O)NS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
The InChIKey is BDPCFRDJIBLILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9(8-11(14)15)12-18(16,17)13(2)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 43361692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).