[1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C14H25FN2O3S — CID 168674707

IUPAC[1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)CN1CCC(CN2CC(CS(=O)(=O)F)CC2=O)C1
InChIInChI=1S/C14H25FN2O3S/c1-11(2)6-16-4-3-12(7-16)8-17-9-13(5-14(17)18)10-21(15,19)20/h11-13H,3-10H2,1-2H3
InChIKeyOLFYJXLGJVMYFX-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.11
Rot. Bonds6

About [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674707) has the molecular formula C14H25FN2O3S and a molecular weight of 320.43 g/mol. Its IUPAC name is [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674707
Molecular FormulaC14H25FN2O3S
Molecular Weight320.43 g/mol
Exact Mass320.16
IUPAC Name[1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)CN1CCC(CN2CC(CS(=O)(=O)F)CC2=O)C1
InChIInChI=1S/C14H25FN2O3S/c1-11(2)6-16-4-3-12(7-16)8-17-9-13(5-14(17)18)10-21(15,19)20/h11-13H,3-10H2,1-2H3
InChIKeyOLFYJXLGJVMYFX-UHFFFAOYSA-N
XLogP1.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674707) is [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)CN1CCC(CN2CC(CS(=O)(=O)F)CC2=O)C1.
What is the InChIKey of [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is OLFYJXLGJVMYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O3S/c1-11(2)6-16-4-3-12(7-16)8-17-9-13(5-14(17)18)10-21(15,19)20/h11-13H,3-10H2,1-2H3.
What are the key properties of [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 320.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).