N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

C14H28N2O5S — CID 55685553

IUPACN-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCOCCOC)C1
InChIInChI=1S/C14H28N2O5S/c1-3-11-22(18,19)16-7-4-5-13(12-16)14(17)15-6-8-21-10-9-20-2/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyASDHUQBTKCXESK-UHFFFAOYSA-N
MW336.45 g/mol
LogP0.22
Rot. Bonds10

About N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55685553) has the molecular formula C14H28N2O5S and a molecular weight of 336.45 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55685553
Molecular FormulaC14H28N2O5S
Molecular Weight336.45 g/mol
Exact Mass336.17
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCOCCOC)C1
InChIInChI=1S/C14H28N2O5S/c1-3-11-22(18,19)16-7-4-5-13(12-16)14(17)15-6-8-21-10-9-20-2/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyASDHUQBTKCXESK-UHFFFAOYSA-N
XLogP0.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide 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

1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 94101912
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55716455
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55682910

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55685553) is N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCOCCOC)C1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is ASDHUQBTKCXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5S/c1-3-11-22(18,19)16-7-4-5-13(12-16)14(17)15-6-8-21-10-9-20-2/h13H,3-12H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 336.45 g/mol, XLogP of 0.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55685553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).