tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate

C14H25FN2O5S — CID 168713683

IUPACtert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate
SMILESCCCN(CCN1CC(S(=O)(=O)F)CC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25FN2O5S/c1-5-6-16(13(19)22-14(2,3)4)7-8-17-10-11(9-12(17)18)23(15,20)21/h11H,5-10H2,1-4H3
InChIKeyQYCILIPQZWSOOH-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.53
Rot. Bonds6

About tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate

tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate (PubChem CID 168713683) has the molecular formula C14H25FN2O5S and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate
PubChem CID168713683
Molecular FormulaC14H25FN2O5S
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Nametert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate
SMILESCCCN(CCN1CC(S(=O)(=O)F)CC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25FN2O5S/c1-5-6-16(13(19)22-14(2,3)4)7-8-17-10-11(9-12(17)18)23(15,20)21/h11H,5-10H2,1-4H3
InChIKeyQYCILIPQZWSOOH-UHFFFAOYSA-N
XLogP1.53
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713569
(2S)-6-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 168713093
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713516
1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714021
1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713449
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799
1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713544
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 168713024
tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate
CID 167201325
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate (CID 168713683) is tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate is CCCN(CCN1CC(S(=O)(=O)F)CC1=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate?
The InChIKey is QYCILIPQZWSOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O5S/c1-5-6-16(13(19)22-14(2,3)4)7-8-17-10-11(9-12(17)18)23(15,20)21/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate?
tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate has a molecular weight of 352.43 g/mol, XLogP of 1.53, 6 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-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate is sourced from PubChem (CID 168713683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).