[1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H19FN2O3S — CID 168675139

IUPAC[1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)(CN)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c1-10(2,6-12)7-13-4-8(3-9(13)14)5-17(11,15)16/h8H,3-7,12H2,1-2H3
InChIKeyMBMXWJLTZRRSPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.12
Rot. Bonds5

About [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675139) has the molecular formula C10H19FN2O3S and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675139
Molecular FormulaC10H19FN2O3S
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name[1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)(CN)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c1-10(2,6-12)7-13-4-8(3-9(13)14)5-17(11,15)16/h8H,3-7,12H2,1-2H3
InChIKeyMBMXWJLTZRRSPZ-UHFFFAOYSA-N
XLogP0.12
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-methylpropylsulfonyl)-1-propanoylpyrrolidine-3-carboxamide
CID 164637647
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylpropane-1-sulfonamide
CID 164638512
[(3R,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452555
[(3S,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452565
[(3R,4S)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452567
[(3S,4S)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452569
(3,4-Dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 131492641
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-[[1-(2-Methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674707
[1-(1-Aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674723
[1-(2-Aminopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674724
(1-Butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675139) is [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)(CN)CN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MBMXWJLTZRRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O3S/c1-10(2,6-12)7-13-4-8(3-9(13)14)5-17(11,15)16/h8H,3-7,12H2,1-2H3.
What are the key properties of [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 266.34 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).