tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate

C15H25FN2O6S — CID 168674683

IUPACtert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CN2CC(CS(=O)(=O)F)CC2=O)C1
InChIInChI=1S/C15H25FN2O6S/c1-15(2,3)24-14(20)17-4-5-23-12(8-17)9-18-7-11(6-13(18)19)10-25(16,21)22/h11-12H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyYCHIPUMTAPNCJM-KIYNQFGBSA-N
MW380.44 g/mol
LogP0.77
Rot. Bonds4

About tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate (PubChem CID 168674683) has the molecular formula C15H25FN2O6S and a molecular weight of 380.44 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate
PubChem CID168674683
Molecular FormulaC15H25FN2O6S
Molecular Weight380.44 g/mol
Exact Mass380.14
IUPAC Nametert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CN2CC(CS(=O)(=O)F)CC2=O)C1
InChIInChI=1S/C15H25FN2O6S/c1-15(2,3)24-14(20)17-4-5-23-12(8-17)9-18-7-11(6-13(18)19)10-25(16,21)22/h11-12H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyYCHIPUMTAPNCJM-KIYNQFGBSA-N
XLogP0.77
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674642
Tert-butyl 3-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 168674681
[1-(3-Morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674716
[1-(2-Morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674726
tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propyl]-N-methylcarbamate
CID 168675048
Tert-butyl 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 168675060
Tert-butyl 4-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propyl]piperazine-1-carboxylate
CID 168675081
Tert-butyl 4-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]piperazine-1-carboxylate
CID 168675082
Ethyl 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 168675329
[1-(4-Morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676407
[1-(3-Morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676415
[1-(2-Morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676437

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate (CID 168674683) is tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@H](CN2CC(CS(=O)(=O)F)CC2=O)C1.
What is the InChIKey of tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate?
The InChIKey is YCHIPUMTAPNCJM-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H25FN2O6S/c1-15(2,3)24-14(20)17-4-5-23-12(8-17)9-18-7-11(6-13(18)19)10-25(16,21)22/h11-12H,4-10H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 168674683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).