tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate

C14H25FN2O5S — CID 168674722

IUPACtert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H25FN2O5S/c1-10(6-16-13(19)22-14(2,3)4)7-17-8-11(5-12(17)18)9-23(15,20)21/h10-11H,5-9H2,1-4H3,(H,16,19)
InChIKeyWFYFULPDXCMZSF-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.29
Rot. Bonds6

About tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate

tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate (PubChem CID 168674722) has the molecular formula C14H25FN2O5S and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate
PubChem CID168674722
Molecular FormulaC14H25FN2O5S
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Nametert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H25FN2O5S/c1-10(6-16-13(19)22-14(2,3)4)7-17-8-11(5-12(17)18)9-23(15,20)21/h10-11H,5-9H2,1-4H3,(H,16,19)
InChIKeyWFYFULPDXCMZSF-UHFFFAOYSA-N
XLogP1.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168674691
tert-butyl N-[4-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]carbamate
CID 168675104
[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675045
[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674730
tert-butyl 4-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 168675080
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid
CID 168675038
tert-butyl 2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 168674677
tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]azetidine-1-carboxylate
CID 168675053
(3S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 168674692
[1-(2-ethylhexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674809
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168661576
tert-butyl N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2,2-dimethylpropyl]carbamate
CID 168506900

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate (CID 168674722) is tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate is CC(CNC(=O)OC(C)(C)C)CN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate?
The InChIKey is WFYFULPDXCMZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O5S/c1-10(6-16-13(19)22-14(2,3)4)7-17-8-11(5-12(17)18)9-23(15,20)21/h10-11H,5-9H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate?
tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate is sourced from PubChem (CID 168674722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).