tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate

C17H27N3O5S — CID 46594465

IUPACtert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O5S/c1-17(2,3)25-16(21)20-10-8-19(9-11-20)12-13-24-14-4-6-15(7-5-14)26(18,22)23/h4-7H,8-13H2,1-3H3,(H2,18,22,23)
InChIKeyQUNCPIUZUDSQJX-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.27
Rot. Bonds5

About tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate (PubChem CID 46594465) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate
PubChem CID46594465
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Nametert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O5S/c1-17(2,3)25-16(21)20-10-8-19(9-11-20)12-13-24-14-4-6-15(7-5-14)26(18,22)23/h4-7H,8-13H2,1-3H3,(H2,18,22,23)
InChIKeyQUNCPIUZUDSQJX-UHFFFAOYSA-N
XLogP1.27
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[2-[4-(hydroxymethyl)phenoxy]ethyl]piperazine-1-carboxylate
CID 164578198
tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate
CID 59373082
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716
tert-butyl 4-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]piperazine-1-carboxylate
CID 171115659
tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
CID 167488707
4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
CID 119927841
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
tert-butyl 4-[2-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56515172
tert-butyl 4-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methyl]piperazine-1-carboxylate
CID 123586414
tert-butyl 4-[[4-[2-(4-ethoxyphenoxy)ethyl]phenyl]methyl]piperazine-1-carboxylate
CID 140599250
tert-butyl 4-[3-(3-bromophenoxy)propyl]piperazine-1-carboxylate
CID 91759017

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate (CID 46594465) is tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate?
The InChIKey is QUNCPIUZUDSQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-17(2,3)25-16(21)20-10-8-19(9-11-20)12-13-24-14-4-6-15(7-5-14)26(18,22)23/h4-7H,8-13H2,1-3H3,(H2,18,22,23).
What are the key properties of tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate has a molecular weight of 385.49 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 46594465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).