tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate

C15H22N2O5S — CID 167488707

IUPACtert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H22N2O5S/c1-15(2,3)22-14(18)17-9-8-12(10-17)21-11-4-6-13(7-5-11)23(16,19)20/h4-7,12H,8-10H2,1-3H3,(H2,16,19,20)
InChIKeyPLMOBAZEURVOCZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.72
Rot. Bonds3

About tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate

tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate (PubChem CID 167488707) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
PubChem CID167488707
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nametert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H22N2O5S/c1-15(2,3)22-14(18)17-9-8-12(10-17)21-11-4-6-13(7-5-11)23(16,19)20/h4-7,12H,8-10H2,1-3H3,(H2,16,19,20)
InChIKeyPLMOBAZEURVOCZ-UHFFFAOYSA-N
XLogP1.72
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-(4-nitrophenoxy)pyrrolidine-1-carboxylate
CID 158582888
tert-butyl 3-[4-(acetamidomethyl)phenoxy]pyrrolidine-1-carboxylate
CID 123728468
tert-butyl 4-[4-sulfamoyl-2-(trifluoromethylsulfonyl)anilino]piperidine-1-carboxylate
CID 67225879
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyphenyl]-oxidoazanium
CID 142830467
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl 3-[4-amino-3-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 166611413
tert-butyl 3-[4-(2,3-dihydroxypropylamino)phenoxy]pyrrolidine-1-carboxylate
CID 168593612
tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 140872433
tert-butyl 3-(3-amino-5-chlorophenoxy)pyrrolidine-1-carboxylate
CID 164584435

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate (CID 167488707) is tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate?
The InChIKey is PLMOBAZEURVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-15(2,3)22-14(18)17-9-8-12(10-17)21-11-4-6-13(7-5-11)23(16,19)20/h4-7,12H,8-10H2,1-3H3,(H2,16,19,20).
What are the key properties of tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate?
tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 167488707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).