4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid

C11H22N2O4S — CID 28773629

IUPAC4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid
SMILESCN1CCC(N(C)S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-12-7-5-10(6-8-12)13(2)18(16,17)9-3-4-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyBUJLHEFIGNARGC-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.21
Rot. Bonds6

About 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid

4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid (PubChem CID 28773629) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid
PubChem CID28773629
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid
SMILESCN1CCC(N(C)S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-12-7-5-10(6-8-12)13(2)18(16,17)9-3-4-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyBUJLHEFIGNARGC-UHFFFAOYSA-N
XLogP0.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid (CID 28773629) is 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid is CN1CCC(N(C)S(=O)(=O)CCCC(=O)O)CC1.
What is the InChIKey of 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid?
The InChIKey is BUJLHEFIGNARGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-12-7-5-10(6-8-12)13(2)18(16,17)9-3-4-11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid?
4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28773629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).