4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid

C11H22N2O4S — CID 63638842

IUPAC4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid
SMILESCCN(C1CCCNC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H22N2O4S/c1-2-13(10-5-3-7-12-9-10)18(16,17)8-4-6-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyWMRCBQUDASUGGB-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.25
Rot. Bonds7

About 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid

4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid (PubChem CID 63638842) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid
PubChem CID63638842
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid
SMILESCCN(C1CCCNC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H22N2O4S/c1-2-13(10-5-3-7-12-9-10)18(16,17)8-4-6-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyWMRCBQUDASUGGB-UHFFFAOYSA-N
XLogP0.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl(piperidin-3-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

Related Compounds

4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid
CID 66186641
N-ethyl-N-piperidin-3-yl-2-propan-2-yloxyethanesulfonamide
CID 79594528
N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 60806038
N-(dimethylsulfamoyl)-N-ethylpiperidin-3-amine
CID 60807042
N-ethyl-N-piperidin-3-ylpropane-2-sulfonamide
CID 60858628
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
4-[methyl(piperidin-4-yl)sulfamoyl]butanoic acid
CID 61403398
3-[tert-butylsulfamoyl(ethyl)amino]piperidine
CID 114805078
N-ethyl-1-(oxolan-2-yl)-N-piperidin-3-ylmethanesulfonamide
CID 63246657
4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid
CID 54876206

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid (CID 63638842) is 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid is CCN(C1CCCNC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid?
The InChIKey is WMRCBQUDASUGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-2-13(10-5-3-7-12-9-10)18(16,17)8-4-6-11(14)15/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid?
4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 63638842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).