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Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate

C17H24FN3O6S — CID 118561851

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1
InChIInChI=1S/C17H24FN3O6S/c1-17(2,3)26-16(23)21-10-8-13(9-11-21)20-15(22)19-12-4-6-14(7-5-12)27-28(18,24)25/h4-7,13H,8-11H2,1-3H3,(H2,19,20,22)
InChIKeyHDXBIONPUMBKAX-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.80
Rot. Bonds4

About Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate

Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 118561851) has the molecular formula C17H24FN3O6S and a molecular weight of 417.46 g/mol. Its IUPAC name is tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID118561851
Molecular FormulaC17H24FN3O6S
Molecular Weight417.46 g/mol
Exact Mass417.14
IUPAC Nametert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1
InChIInChI=1S/C17H24FN3O6S/c1-17(2,3)26-16(23)21-10-8-13(9-11-21)20-15(22)19-12-4-6-14(7-5-12)27-28(18,24)25/h4-7,13H,8-11H2,1-3H3,(H2,19,20,22)
InChIKeyHDXBIONPUMBKAX-UHFFFAOYSA-N
XLogP2.80
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate (CID 118561851) is tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1.
What is the InChIKey of Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is HDXBIONPUMBKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O6S/c1-17(2,3)26-16(23)21-10-8-13(9-11-21)20-15(22)19-12-4-6-14(7-5-12)27-28(18,24)25/h4-7,13H,8-11H2,1-3H3,(H2,19,20,22).
What are the key properties of Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 417.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 118561851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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