1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C10H17FN2O4S — CID 168713449

IUPAC1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(C)NC(=O)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H17FN2O4S/c1-10(2,3)12-8(14)6-13-5-7(4-9(13)15)18(11,16)17/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyBPWFDESGGHXAQB-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.20
Rot. Bonds3

About 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713449) has the molecular formula C10H17FN2O4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713449
Molecular FormulaC10H17FN2O4S
Molecular Weight280.32 g/mol
Exact Mass280.09
IUPAC Name1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(C)NC(=O)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H17FN2O4S/c1-10(2,3)12-8(14)6-13-5-7(4-9(13)15)18(11,16)17/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyBPWFDESGGHXAQB-UHFFFAOYSA-N
XLogP-0.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675045
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713544
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799
(2S)-6-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 168713093
tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate
CID 168713683
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713516
1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713569
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide
CID 129033915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713449) is 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CC(C)(C)NC(=O)CN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is BPWFDESGGHXAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O4S/c1-10(2,3)12-8(14)6-13-5-7(4-9(13)15)18(11,16)17/h7H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 280.32 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).