2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid

C16H24N2O4S — CID 146108649

IUPAC2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
SMILESCCN1CCCC(CNS(=O)(=O)c2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-2-18-8-4-6-14(12-18)11-17-23(21,22)15-7-3-5-13(9-15)10-16(19)20/h3,5,7,9,14,17H,2,4,6,8,10-12H2,1H3,(H,19,20)
InChIKeyZAWAJDVVYUOFFZ-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.32
Rot. Bonds7

About 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid

2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid (PubChem CID 146108649) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
PubChem CID146108649
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
SMILESCCN1CCCC(CNS(=O)(=O)c2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-2-18-8-4-6-14(12-18)11-17-23(21,22)15-7-3-5-13(9-15)10-16(19)20/h3,5,7,9,14,17H,2,4,6,8,10-12H2,1H3,(H,19,20)
InChIKeyZAWAJDVVYUOFFZ-UHFFFAOYSA-N
XLogP1.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic 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 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid (CID 146108649) is 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid is CCN1CCCC(CNS(=O)(=O)c2cccc(CC(=O)O)c2)C1.
What is the InChIKey of 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid?
The InChIKey is ZAWAJDVVYUOFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-2-18-8-4-6-14(12-18)11-17-23(21,22)15-7-3-5-13(9-15)10-16(19)20/h3,5,7,9,14,17H,2,4,6,8,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid?
2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid has a molecular weight of 340.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 146108649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).