tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate

C10H19NO5S — CID 10934372

IUPACtert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](OS(C)(=O)=O)C1
InChIInChI=1S/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyKWQRKOSMSFLBTJ-MRVPVSSYSA-N
MW265.33 g/mol
LogP0.97
Rot. Bonds2

About tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate

tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate (PubChem CID 10934372) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate
PubChem CID10934372
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Nametert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](OS(C)(=O)=O)C1
InChIInChI=1S/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyKWQRKOSMSFLBTJ-MRVPVSSYSA-N
XLogP0.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylate
CID 4139999
(S)-1-Boc-3-methanesulfonyloxy-pyrrolidine
CID 11032777
Tert-butyl 3-(fluorosulfonyl)-4-hydroxypyrrolidine-1-carboxylate
CID 165944597
(S)-tert-Butyl 3-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate
CID 40424790
Tert-butyl 2-(fluoromethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 14117035
tert-butyl (2R,4R)-2-(fluoromethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 14117036
1-t-Butoxycarbonyl-3-(2,2,2-trifluoroethoxy)-4-methylsulfonyloxypyrrolidine
CID 15023847
(R)-tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)pyrrolidine-1-carboxylate
CID 56973564
(S)-tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)pyrrolidine-1-carboxylate
CID 56973565
Tert-butyl 3-(trifluoromethylsulfonyloxy)pyrrolidine-1-carboxylate
CID 56973566
tert-butyl (2S,4S)-2-(difluoromethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 58303345
1,1-Dimethylethyl (2S,4S)-2-(fluoromethyl)-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate
CID 58303554

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate (CID 10934372) is tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](OS(C)(=O)=O)C1.
What is the InChIKey of tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate?
The InChIKey is KWQRKOSMSFLBTJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate?
tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 10934372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).