ethyl 4-fluorosulfonylpiperidine-1-carboxylate

C8H14FNO4S — CID 122236020

IUPACethyl 4-fluorosulfonylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C8H14FNO4S/c1-2-14-8(11)10-5-3-7(4-6-10)15(9,12)13/h7H,2-6H2,1H3
InChIKeyZCQHKCWGNXOTTP-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.91
Rot. Bonds2

About ethyl 4-fluorosulfonylpiperidine-1-carboxylate

ethyl 4-fluorosulfonylpiperidine-1-carboxylate (PubChem CID 122236020) has the molecular formula C8H14FNO4S and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 4-fluorosulfonylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluorosulfonylpiperidine-1-carboxylate
PubChem CID122236020
Molecular FormulaC8H14FNO4S
Molecular Weight239.27 g/mol
Exact Mass239.06
IUPAC Nameethyl 4-fluorosulfonylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C8H14FNO4S/c1-2-14-8(11)10-5-3-7(4-6-10)15(9,12)13/h7H,2-6H2,1H3
InChIKeyZCQHKCWGNXOTTP-UHFFFAOYSA-N
XLogP0.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168713733
ethyl 4-(3-fluorosulfonylpyrrolidin-1-yl)-4-oxobutanoate
CID 165476773
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
CID 64628906
ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate
CID 95328331
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluorosulfonylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-fluorosulfonylpiperidine-1-carboxylate (CID 122236020) is ethyl 4-fluorosulfonylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-fluorosulfonylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-fluorosulfonylpiperidine-1-carboxylate is CCOC(=O)N1CCC(S(=O)(=O)F)CC1.
What is the InChIKey of ethyl 4-fluorosulfonylpiperidine-1-carboxylate?
The InChIKey is ZCQHKCWGNXOTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4S/c1-2-14-8(11)10-5-3-7(4-6-10)15(9,12)13/h7H,2-6H2,1H3.
What are the key properties of ethyl 4-fluorosulfonylpiperidine-1-carboxylate?
ethyl 4-fluorosulfonylpiperidine-1-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluorosulfonylpiperidine-1-carboxylate is sourced from PubChem (CID 122236020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).