Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate

C11H20FNO4S — CID 115051750

IUPACtert-butyl 4-(fluorosulfonylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC1)CS(=O)(=O)F
InChIInChI=1S/C11H20FNO4S/c1-11(2,3)17-10(14)13-6-4-9(5-7-13)8-18(12,15)16/h9H,4-8H2,1-3H3
InChIKeyUYAGDJINCUAKSL-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.80
Rot. Bonds4

About Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate

Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate (PubChem CID 115051750) has the molecular formula C11H20FNO4S and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl 4-(fluorosulfonylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate
PubChem CID115051750
Molecular FormulaC11H20FNO4S
Molecular Weight281.35 g/mol
Exact Mass281.11
IUPAC Nametert-butyl 4-(fluorosulfonylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC1)CS(=O)(=O)F
InChIInChI=1S/C11H20FNO4S/c1-11(2,3)17-10(14)13-6-4-9(5-7-13)8-18(12,15)16/h9H,4-8H2,1-3H3
InChIKeyUYAGDJINCUAKSL-UHFFFAOYSA-N
XLogP1.80
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity388

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-sulfamoylpiperidine-1-carboxylate
CID 66589106
Sodium 1-[(tert-butoxy)carbonyl]piperidine-4-sulfinate
CID 130141517
sodium (3R)-1-((tert-butoxy)carbonyl)piperidine-3-sulfinate
CID 155819765
Tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 2765838
tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate
CID 45789737
Tert-butyl 4-[(chlorosulfonyl)methyl]piperidine-1-carboxylate
CID 72212376
1-Piperidinecarboxylic acid, 3-(chlorosulfonyl)-, 1,1-dimethylethyl ester
CID 72213028
tert-butyl (3S)-3-((chlorosulfonyl)methyl)piperidine-1-carboxylate
CID 98461158
tert-butyl (3R)-3-((chlorosulfonyl)methyl)piperidine-1-carboxylate
CID 98461159
Tert-butyl 4-[(chlorosulfonyl)methyl]-4-fluoropiperidine-1-carboxylate
CID 119031496
Tert-butyl 3-(fluorosulfonyl)piperidine-1-carboxylate
CID 131125296
Tert-butyl 4-(fluorosulfonyl)piperidine-1-carboxylate
CID 132342134

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate?
The IUPAC name of Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate (CID 115051750) is tert-butyl 4-(fluorosulfonylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC1)CS(=O)(=O)F.
What is the InChIKey of Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate?
The InChIKey is UYAGDJINCUAKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO4S/c1-11(2,3)17-10(14)13-6-4-9(5-7-13)8-18(12,15)16/h9H,4-8H2,1-3H3.
What are the key properties of Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate?
Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 115051750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).