[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H19FN2O4S — CID 168675045

IUPAC[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)(C)NC(=O)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H19FN2O4S/c1-11(2,3)13-9(15)6-14-5-8(4-10(14)16)7-19(12,17)18/h8H,4-7H2,1-3H3,(H,13,15)
InChIKeyNUENINPRSNGNTJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.05
Rot. Bonds4

About [1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675045) has the molecular formula C11H19FN2O4S and a molecular weight of 294.35 g/mol. Its IUPAC name is [1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675045
Molecular FormulaC11H19FN2O4S
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)(C)NC(=O)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H19FN2O4S/c1-11(2,3)13-9(15)6-14-5-8(4-10(14)16)7-19(12,17)18/h8H,4-7H2,1-3H3,(H,13,15)
InChIKeyNUENINPRSNGNTJ-UHFFFAOYSA-N
XLogP0.05
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713449
tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate
CID 168674722
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
(2S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168674691
tert-butyl 2-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 168674677
tert-butyl N-[4-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]carbamate
CID 168675104
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168674696
[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674730
tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]azetidine-1-carboxylate
CID 168675053
[1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676615
2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
CID 168681853

Frequently Asked Questions

What is the IUPAC name of [1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675045) is [1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)(C)NC(=O)CN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is NUENINPRSNGNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O4S/c1-11(2,3)13-9(15)6-14-5-8(4-10(14)16)7-19(12,17)18/h8H,4-7H2,1-3H3,(H,13,15).
What are the key properties of [1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 294.35 g/mol, XLogP of 0.05, 4 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-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).