[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H19FN2O4S — CID 168676437

IUPAC[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCN1CCOCC1
InChIInChI=1S/C11H19FN2O4S/c12-19(16,17)9-10-7-11(15)14(8-10)2-1-13-3-5-18-6-4-13/h10H,1-9H2
InChIKeyXMDPWQYKFYOUOV-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.53
Rot. Bonds5

About [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676437) has the molecular formula C11H19FN2O4S and a molecular weight of 294.35 g/mol. Its IUPAC name is [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676437
Molecular FormulaC11H19FN2O4S
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCN1CCOCC1
InChIInChI=1S/C11H19FN2O4S/c12-19(16,17)9-10-7-11(15)14(8-10)2-1-13-3-5-18-6-4-13/h10H,1-9H2
InChIKeyXMDPWQYKFYOUOV-UHFFFAOYSA-N
XLogP-0.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676437) is [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCN1CCOCC1.
What is the InChIKey of [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is XMDPWQYKFYOUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O4S/c12-19(16,17)9-10-7-11(15)14(8-10)2-1-13-3-5-18-6-4-13/h10H,1-9H2.
What are the key properties of [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 294.35 g/mol, XLogP of -0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).