1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate

C10H18FNO5S — CID 123219052

IUPAC1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate
SMILESCCOC(C)OC(=O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C10H18FNO5S/c1-3-16-8(2)17-10(13)9-4-6-12(7-5-9)18(11,14)15/h8-9H,3-7H2,1-2H3
InChIKeyGGWWEDHBCIJZDP-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.84
Rot. Bonds5

About 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate

1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate (PubChem CID 123219052) has the molecular formula C10H18FNO5S and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate
PubChem CID123219052
Molecular FormulaC10H18FNO5S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC Name1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate
SMILESCCOC(C)OC(=O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C10H18FNO5S/c1-3-16-8(2)17-10(13)9-4-6-12(7-5-9)18(11,14)15/h8-9H,3-7H2,1-2H3
InChIKeyGGWWEDHBCIJZDP-UHFFFAOYSA-N
XLogP0.84
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethoxyethyl 1-fluorosulfonylpiperidine-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-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228198
Ethyl 1-(fluorosulfonyl)piperidine-4-carboxylate
CID 122235964
Tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate
CID 123725555
Ethyl 1-(diethoxymethyl)piperidine-4-carboxylate
CID 154700668
Ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
CID 670002
1-Ethoxycarbonyloxyethyl 1-methylpiperidine-4-carboxylate
CID 57973356
1-Ethoxyethyl 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine-4-carboxylate
CID 58898886
1-Methoxyethyl 1-methylsulfonylpiperidine-4-carboxylate
CID 89333915
Ethyl 1-sulfamoylpiperidine-4-carboxylate
CID 37225342
Ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802
Ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate
CID 43423574
Ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate
CID 43423575

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate?
The IUPAC name of 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate (CID 123219052) is 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate?
The canonical SMILES for 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate is CCOC(C)OC(=O)C1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate?
The InChIKey is GGWWEDHBCIJZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO5S/c1-3-16-8(2)17-10(13)9-4-6-12(7-5-9)18(11,14)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate?
1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 123219052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).