tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate

C17H24FNO4S — CID 54450072

IUPACtert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)C(F)c2ccccc2)C1
InChIInChI=1S/C17H24FNO4S/c1-17(2,3)23-16(20)19-10-9-13(11-19)12-24(21,22)15(18)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15?/m1/s1
InChIKeyWUICJIBRWZDTTR-AFYYWNPRSA-N
MW357.45 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate (PubChem CID 54450072) has the molecular formula C17H24FNO4S and a molecular weight of 357.45 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate
PubChem CID54450072
Molecular FormulaC17H24FNO4S
Molecular Weight357.45 g/mol
Exact Mass357.14
IUPAC Nametert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)C(F)c2ccccc2)C1
InChIInChI=1S/C17H24FNO4S/c1-17(2,3)23-16(20)19-10-9-13(11-19)12-24(21,22)15(18)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15?/m1/s1
InChIKeyWUICJIBRWZDTTR-AFYYWNPRSA-N
XLogP3.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate (CID 54450072) is tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)C(F)c2ccccc2)C1.
What is the InChIKey of tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate?
The InChIKey is WUICJIBRWZDTTR-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H24FNO4S/c1-17(2,3)23-16(20)19-10-9-13(11-19)12-24(21,22)15(18)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15?/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[fluoro(phenyl)methyl]sulfonylmethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 54450072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).