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

C12H21FN2O4S — CID 168676415

IUPAC[1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCN1CCOCC1
InChIInChI=1S/C12H21FN2O4S/c13-20(17,18)10-11-8-12(16)15(9-11)3-1-2-14-4-6-19-7-5-14/h11H,1-10H2
InChIKeyGGBUOGXSDLEOLN-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.14
Rot. Bonds6

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

[1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676415) has the molecular formula C12H21FN2O4S and a molecular weight of 308.38 g/mol. Its IUPAC name is [1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676415
Molecular FormulaC12H21FN2O4S
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name[1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCN1CCOCC1
InChIInChI=1S/C12H21FN2O4S/c13-20(17,18)10-11-8-12(16)15(9-11)3-1-2-14-4-6-19-7-5-14/h11H,1-10H2
InChIKeyGGBUOGXSDLEOLN-UHFFFAOYSA-N
XLogP-0.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676415) is [1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCCN1CCOCC1.
What is the InChIKey of [1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is GGBUOGXSDLEOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O4S/c13-20(17,18)10-11-8-12(16)15(9-11)3-1-2-14-4-6-19-7-5-14/h11H,1-10H2.
What are the key properties of [1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 308.38 g/mol, XLogP of -0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).