tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate

C17H25FN2O4S — CID 60563628

IUPACtert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O4S/c1-17(2,3)24-16(21)20-10-8-15(9-11-20)19-25(22,23)12-13-4-6-14(18)7-5-13/h4-7,15,19H,8-12H2,1-3H3
InChIKeyXZACFBGDRKBPIJ-UHFFFAOYSA-N
MW372.46 g/mol
LogP2.64
Rot. Bonds4

About tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate (PubChem CID 60563628) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate
PubChem CID60563628
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC Nametert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O4S/c1-17(2,3)24-16(21)20-10-8-15(9-11-20)19-25(22,23)12-13-4-6-14(18)7-5-13/h4-7,15,19H,8-12H2,1-3H3
InChIKeyXZACFBGDRKBPIJ-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl [1-(benzylsulfonyl)piperidin-4-yl]methylcarbamate
CID 24761445
ethyl 4-{[(4-methylphenyl)sulfonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
CID 2815493
Tert-butyl 4-[(benzylsulfonyl)carbamoyl]piperidine-1-carboxylate
CID 44389190
(E,3S)-3-(tert-butoxycarbonylamino)-4-phenyl-but-1-ene-1-sulfonate; tetrabutylammonium
CID 71659092
tert-butyl N-[1-(chlorosulfonyl)-4-phenylbutan-2-yl]carbamate
CID 87987174
Tert-butyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 2810477
1-(2-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]methanesulfonamide
CID 17641858
Ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate
CID 33038124
Ethyl 4-(2-phenylethenesulfonamido)piperidine-1-carboxylate
CID 40029227
Tert-butyl 4-(2-((3-fluorophenyl)methylsulfonamido)ethyl)piperazine-1-carboxylate
CID 49677441
Methyl 4-({[4-(trifluoromethyl)phenyl]methanesulfonamido}methyl)piperidine-1-carboxylate
CID 71786831
Ethyl 4-[(5-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 39622543

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate (CID 60563628) is tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate?
The InChIKey is XZACFBGDRKBPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-17(2,3)24-16(21)20-10-8-15(9-11-20)19-25(22,23)12-13-4-6-14(18)7-5-13/h4-7,15,19H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate has a molecular weight of 372.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 60563628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).