methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate

C11H22N2O5S — CID 55250997

IUPACmethyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C11H22N2O5S/c1-17-11(14)4-9-19(15,16)13-7-8-18-10-2-5-12-6-3-10/h10,12-13H,2-9H2,1H3
InChIKeyWIXHKWUOINSGCA-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.76
Rot. Bonds8

About methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate

methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate (PubChem CID 55250997) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
PubChem CID55250997
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Namemethyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C11H22N2O5S/c1-17-11(14)4-9-19(15,16)13-7-8-18-10-2-5-12-6-3-10/h10,12-13H,2-9H2,1H3
InChIKeyWIXHKWUOINSGCA-UHFFFAOYSA-N
XLogP-0.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate 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

methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate
CID 63870829
2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide
CID 55252432
methyl 3-[3-(4-aminocyclohexyl)oxypropylsulfamoyl]propanoate
CID 63869662
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
CID 63869320
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
CID 61458394
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482
ethyl 2-(2-piperidin-4-yloxyethylamino)acetate
CID 176582615
4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid
CID 63826618
4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one
CID 116571164
2,2,2-trifluoro-N-(2-piperidin-4-yloxyethyl)acetamide
CID 63869260

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate (CID 55250997) is methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate is COC(=O)CCS(=O)(=O)NCCOC1CCNCC1.
What is the InChIKey of methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate?
The InChIKey is WIXHKWUOINSGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-17-11(14)4-9-19(15,16)13-7-8-18-10-2-5-12-6-3-10/h10,12-13H,2-9H2,1H3.
What are the key properties of methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate?
methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate has a molecular weight of 294.37 g/mol, XLogP of -0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate is sourced from PubChem (CID 55250997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).