[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C13H19FN2O4S — CID 168674956

IUPAC[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H19FN2O4S/c14-21(19,20)8-10-4-12(17)15(6-10)5-9-3-13(18)16(7-9)11-1-2-11/h9-11H,1-8H2
InChIKeyCNIYVSFVFYEIJB-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.15
Rot. Bonds5

About [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674956) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674956
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H19FN2O4S/c14-21(19,20)8-10-4-12(17)15(6-10)5-9-3-13(18)16(7-9)11-1-2-11/h9-11H,1-8H2
InChIKeyCNIYVSFVFYEIJB-UHFFFAOYSA-N
XLogP0.15
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674956) is [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CC1CC(=O)N(C2CC2)C1.
What is the InChIKey of [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is CNIYVSFVFYEIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c14-21(19,20)8-10-4-12(17)15(6-10)5-9-3-13(18)16(7-9)11-1-2-11/h9-11H,1-8H2.
What are the key properties of [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 318.37 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).