tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate

C13H23FN2O5S — CID 168675049

IUPACtert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate
SMILESCN(CCN1CC(CS(=O)(=O)F)CC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23FN2O5S/c1-13(2,3)21-12(18)15(4)5-6-16-8-10(7-11(16)17)9-22(14,19)20/h10H,5-9H2,1-4H3
InChIKeyBXFQYVJNCGXIBJ-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.00
Rot. Bonds5

About tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate (PubChem CID 168675049) has the molecular formula C13H23FN2O5S and a molecular weight of 338.40 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate
PubChem CID168675049
Molecular FormulaC13H23FN2O5S
Molecular Weight338.40 g/mol
Exact Mass338.13
IUPAC Nametert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate
SMILESCN(CCN1CC(CS(=O)(=O)F)CC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23FN2O5S/c1-13(2,3)21-12(18)15(4)5-6-16-8-10(7-11(16)17)9-22(14,19)20/h10H,5-9H2,1-4H3
InChIKeyBXFQYVJNCGXIBJ-UHFFFAOYSA-N
XLogP1.00
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 3-[(fluorosulfonyl)methyl]pyrrolidine-1-carboxylate
CID 122163667
tert-butyl (3R)-3-(fluorosulfonylmethyl)pyrrolidine-1-carboxylate
CID 124298463
tert-butyl (3S)-3-(fluorosulfonylmethyl)pyrrolidine-1-carboxylate
CID 124298464
rac-1-tert-butyl 3-methyl (3R,4R)-4-(fluorosulfonyl)pyrrolidine-1,3-dicarboxylate, trans
CID 132350880
1-Tert-butyl 3-methyl 4-(fluorosulfonyl)pyrrolidine-1,3-dicarboxylate
CID 165882307
Tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168674671
tert-butyl (3R)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168674672
Tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 168674673
tert-butyl (3R)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 168674675
Tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]azepane-1-carboxylate
CID 168674676
Tert-butyl 2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 168674677
Tert-butyl 2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 168674678

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate (CID 168675049) is tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate is CN(CCN1CC(CS(=O)(=O)F)CC1=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate?
The InChIKey is BXFQYVJNCGXIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O5S/c1-13(2,3)21-12(18)15(4)5-6-16-8-10(7-11(16)17)9-22(14,19)20/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate has a molecular weight of 338.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 168675049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).