ethyl 1-fluorosulfonylpiperidine-4-carboxylate

C8H14FNO4S — CID 122235964

IUPACethyl 1-fluorosulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C8H14FNO4S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13/h7H,2-6H2,1H3
InChIKeyNIFRAQGRCBMVSQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.48
Rot. Bonds3

About ethyl 1-fluorosulfonylpiperidine-4-carboxylate

ethyl 1-fluorosulfonylpiperidine-4-carboxylate (PubChem CID 122235964) has the molecular formula C8H14FNO4S and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 1-fluorosulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-fluorosulfonylpiperidine-4-carboxylate
PubChem CID122235964
Molecular FormulaC8H14FNO4S
Molecular Weight239.27 g/mol
Exact Mass239.06
IUPAC Nameethyl 1-fluorosulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C8H14FNO4S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13/h7H,2-6H2,1H3
InChIKeyNIFRAQGRCBMVSQ-UHFFFAOYSA-N
XLogP0.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 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

Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
Ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228198
Methyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228361
Methyl 1-sulfamoylpiperidine-4-carboxylate
CID 25323924
[1-(Chlorosulfonyl)piperidin-4-yl]methyl acetate
CID 138040564
2,2,3,3,3-Pentafluoropropyl 1-methylsulfonylpiperidine-4-carboxylate
CID 90131045
1-Ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate
CID 123219052
Tert-butyl 1-fluorosulfinylpiperidine-4-carboxylate
CID 123649415
Tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate
CID 123725555
Ethyl 1-fluoropiperidine-4-carboxylate
CID 149676262
Ethyl 1-(difluoromethylsulfonyl)piperidine-4-carboxylate
CID 43608126

Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluorosulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-fluorosulfonylpiperidine-4-carboxylate (CID 122235964) is ethyl 1-fluorosulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-fluorosulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-fluorosulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of ethyl 1-fluorosulfonylpiperidine-4-carboxylate?
The InChIKey is NIFRAQGRCBMVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13/h7H,2-6H2,1H3.
What are the key properties of ethyl 1-fluorosulfonylpiperidine-4-carboxylate?
ethyl 1-fluorosulfonylpiperidine-4-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluorosulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 122235964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).