tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate

C11H20F2N2O4S — CID 171651319

IUPACtert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate
SMILESCCS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(F)F
InChIInChI=1S/C11H20F2N2O4S/c1-5-20(17,18)14-8-6-15(7-11(8,12)13)9(16)19-10(2,3)4/h8,14H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyJUDIJAMVKSIRQM-MRVPVSSYSA-N
MW314.35 g/mol
LogP1.18
Rot. Bonds3

About tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate

tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate (PubChem CID 171651319) has the molecular formula C11H20F2N2O4S and a molecular weight of 314.35 g/mol. Its IUPAC name is tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate
PubChem CID171651319
Molecular FormulaC11H20F2N2O4S
Molecular Weight314.35 g/mol
Exact Mass314.11
IUPAC Nametert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate
SMILESCCS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(F)F
InChIInChI=1S/C11H20F2N2O4S/c1-5-20(17,18)14-8-6-15(7-11(8,12)13)9(16)19-10(2,3)4/h8,14H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyJUDIJAMVKSIRQM-MRVPVSSYSA-N
XLogP1.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate (CID 171651319) is tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate is CCS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(F)F.
What is the InChIKey of tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate?
The InChIKey is JUDIJAMVKSIRQM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20F2N2O4S/c1-5-20(17,18)14-8-6-15(7-11(8,12)13)9(16)19-10(2,3)4/h8,14H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate?
tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate has a molecular weight of 314.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(ethylsulfonylamino)-3,3-difluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 171651319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).