tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate

C14H26N2O6S — CID 166071281

IUPACtert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O6S/c1-13(2,3)21-11(17)15-23(19,20)10-7-8-16(9-10)12(18)22-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyJHRJNTGIVZLPMQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.85
Rot. Bonds2

About tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate

tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate (PubChem CID 166071281) has the molecular formula C14H26N2O6S and a molecular weight of 350.44 g/mol. Its IUPAC name is tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate
PubChem CID166071281
Molecular FormulaC14H26N2O6S
Molecular Weight350.44 g/mol
Exact Mass350.15
IUPAC Nametert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O6S/c1-13(2,3)21-11(17)15-23(19,20)10-7-8-16(9-10)12(18)22-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyJHRJNTGIVZLPMQ-UHFFFAOYSA-N
XLogP1.85
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S)-3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate
CID 125499804
tert-butyl (3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 130735515
tert-butyl 3-[[(4-hydroxybenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylate
CID 170033573
tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate
CID 154660373
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate
CID 153328230
tert-butyl 3-sulfamoylpiperidine-1-carboxylate
CID 122702227
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)sulfonylpyrrolidine-1-carboxylate
CID 71634303
tert-butyl 3-[1-(aminomethyl)cyclopropyl]sulfonylpyrrolidine-1-carboxylate
CID 155894661
tert-butyl 4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxylate
CID 59560785

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate (CID 166071281) is tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate?
The InChIKey is JHRJNTGIVZLPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6S/c1-13(2,3)21-11(17)15-23(19,20)10-7-8-16(9-10)12(18)22-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 166071281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).