2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride

C11H18F2N2O3S — CID 154879592

IUPAC2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride
SMILESCN1CC(N(CCS(=O)(=O)F)CC2(F)CC2)CC1=O
InChIInChI=1S/C11H18F2N2O3S/c1-14-7-9(6-10(14)16)15(4-5-19(13,17)18)8-11(12)2-3-11/h9H,2-8H2,1H3
InChIKeyYKJMJYFFAXBRNM-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.32
Rot. Bonds6

About 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride

2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride (PubChem CID 154879592) has the molecular formula C11H18F2N2O3S and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride
PubChem CID154879592
Molecular FormulaC11H18F2N2O3S
Molecular Weight296.34 g/mol
Exact Mass296.10
IUPAC Name2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride
SMILESCN1CC(N(CCS(=O)(=O)F)CC2(F)CC2)CC1=O
InChIInChI=1S/C11H18F2N2O3S/c1-14-7-9(6-10(14)16)15(4-5-19(13,17)18)8-11(12)2-3-11/h9H,2-8H2,1H3
InChIKeyYKJMJYFFAXBRNM-UHFFFAOYSA-N
XLogP0.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride?
The IUPAC name of 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride (CID 154879592) is 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride is CN1CC(N(CCS(=O)(=O)F)CC2(F)CC2)CC1=O.
What is the InChIKey of 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride?
The InChIKey is YKJMJYFFAXBRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3S/c1-14-7-9(6-10(14)16)15(4-5-19(13,17)18)8-11(12)2-3-11/h9H,2-8H2,1H3.
What are the key properties of 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride?
2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride has a molecular weight of 296.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluorocyclopropyl)methyl-(1-methyl-5-oxopyrrolidin-3-yl)amino]ethanesulfonyl fluoride is sourced from PubChem (CID 154879592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).