[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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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).