ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate

C12H24N2O6S — CID 62498446

IUPACethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NCCOCCO)CC1
InChIInChI=1S/C12H24N2O6S/c1-2-20-12(16)11-3-6-14(7-4-11)21(17,18)13-5-9-19-10-8-15/h11,13,15H,2-10H2,1H3
InChIKeySLGIUNPZAAFXGT-UHFFFAOYSA-N
MW324.40 g/mol
LogP-0.90
Rot. Bonds9

About ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate

ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate (PubChem CID 62498446) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate
PubChem CID62498446
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Nameethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NCCOCCO)CC1
InChIInChI=1S/C12H24N2O6S/c1-2-20-12(16)11-3-6-14(7-4-11)21(17,18)13-5-9-19-10-8-15/h11,13,15H,2-10H2,1H3
InChIKeySLGIUNPZAAFXGT-UHFFFAOYSA-N
XLogP-0.90
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate 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

ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935936
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 115753944
ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352876
3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
CID 60983708
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate (CID 62498446) is ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)NCCOCCO)CC1.
What is the InChIKey of ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate?
The InChIKey is SLGIUNPZAAFXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6S/c1-2-20-12(16)11-3-6-14(7-4-11)21(17,18)13-5-9-19-10-8-15/h11,13,15H,2-10H2,1H3.
What are the key properties of ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate has a molecular weight of 324.40 g/mol, XLogP of -0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 62498446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).