tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate

C10H18FNO4S — CID 123725555

IUPACtert-butyl 1-fluorosulfonylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C10H18FNO4S/c1-10(2,3)16-9(13)8-4-6-12(7-5-8)17(11,14)15/h8H,4-7H2,1-3H3
InChIKeyREJWDLVSJSYAOG-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.25
Rot. Bonds2

About tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate

tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate (PubChem CID 123725555) has the molecular formula C10H18FNO4S and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-fluorosulfonylpiperidine-4-carboxylate
PubChem CID123725555
Molecular FormulaC10H18FNO4S
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Nametert-butyl 1-fluorosulfonylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C10H18FNO4S/c1-10(2,3)16-9(13)8-4-6-12(7-5-8)17(11,14)15/h8H,4-7H2,1-3H3
InChIKeyREJWDLVSJSYAOG-UHFFFAOYSA-N
XLogP1.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228198
Ethyl 1-(fluorosulfonyl)piperidine-4-carboxylate
CID 122235964
1-Ethoxyethyl 1-fluorosulfonylpiperidine-4-carboxylate
CID 123219052
Tert-butyl 1-fluorosulfinylpiperidine-4-carboxylate
CID 123649415
Ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
CID 670002
Tert-butyl 1-methylpiperidine-4-carboxylate
CID 57753179
Tert-butyl 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine-4-carboxylate
CID 58898885
Tert-butyl 1-ethylpiperidine-4-carboxylate
CID 70180883
Tert-butyl 1-butylpiperidine-4-carboxylate
CID 71041806
Tert-butyl 1-methylsulfonylpiperidine-4-carboxylate
CID 78920693
2-Methylbutan-2-yl 1-methylpiperidine-4-carboxylate
CID 89729514
Tert-butyl 1-propylpiperidine-4-carboxylate
CID 123967709

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate (CID 123725555) is tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate is CC(C)(C)OC(=O)C1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate?
The InChIKey is REJWDLVSJSYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4S/c1-10(2,3)16-9(13)8-4-6-12(7-5-8)17(11,14)15/h8H,4-7H2,1-3H3.
What are the key properties of tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate?
tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-fluorosulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 123725555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).