propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

C23H31N3O6S — CID 24992753

IUPACpropan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(=O)(=O)NCCO)cc3)nc2)CC1
InChIInChI=1S/C23H31N3O6S/c1-17(2)32-23(28)26-12-9-18(10-13-26)16-31-20-5-8-22(24-15-20)19-3-6-21(7-4-19)33(29,30)25-11-14-27/h3-8,15,17-18,25,27H,9-14,16H2,1-2H3
InChIKeyZBRUQLUQLIYNNJ-UHFFFAOYSA-N
MW477.58 g/mol
LogP2.65
Rot. Bonds9

About propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 24992753) has the molecular formula C23H31N3O6S and a molecular weight of 477.58 g/mol. Its IUPAC name is propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID24992753
Molecular FormulaC23H31N3O6S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC Namepropan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(=O)(=O)NCCO)cc3)nc2)CC1
InChIInChI=1S/C23H31N3O6S/c1-17(2)32-23(28)26-12-9-18(10-13-26)16-31-20-5-8-22(24-15-20)19-3-6-21(7-4-19)33(29,30)25-11-14-27/h3-8,15,17-18,25,27H,9-14,16H2,1-2H3
InChIKeyZBRUQLUQLIYNNJ-UHFFFAOYSA-N
XLogP2.65
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate 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 propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 24992753) is propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(=O)(=O)NCCO)cc3)nc2)CC1.
What is the InChIKey of propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is ZBRUQLUQLIYNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S/c1-17(2)32-23(28)26-12-9-18(10-13-26)16-31-20-5-8-22(24-15-20)19-3-6-21(7-4-19)33(29,30)25-11-14-27/h3-8,15,17-18,25,27H,9-14,16H2,1-2H3.
What are the key properties of propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 477.58 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 24992753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).