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

C13H23FN2O4S — CID 168674716

IUPAC[1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(CCN1CC(CS(=O)(=O)F)CC1=O)N1CCOCC1
InChIInChI=1S/C13H23FN2O4S/c1-11(15-4-6-20-7-5-15)2-3-16-9-12(8-13(16)17)10-21(14,18)19/h11-12H,2-10H2,1H3
InChIKeyMVXCAFRWCMIVSL-UHFFFAOYSA-N
MW322.40 g/mol
LogP0.25
Rot. Bonds6

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

[1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674716) has the molecular formula C13H23FN2O4S and a molecular weight of 322.40 g/mol. Its IUPAC name is [1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674716
Molecular FormulaC13H23FN2O4S
Molecular Weight322.40 g/mol
Exact Mass322.14
IUPAC Name[1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(CCN1CC(CS(=O)(=O)F)CC1=O)N1CCOCC1
InChIInChI=1S/C13H23FN2O4S/c1-11(15-4-6-20-7-5-15)2-3-16-9-12(8-13(16)17)10-21(14,18)19/h11-12H,2-10H2,1H3
InChIKeyMVXCAFRWCMIVSL-UHFFFAOYSA-N
XLogP0.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.25
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-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674716) is [1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(CCN1CC(CS(=O)(=O)F)CC1=O)N1CCOCC1.
What is the InChIKey of [1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MVXCAFRWCMIVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O4S/c1-11(15-4-6-20-7-5-15)2-3-16-9-12(8-13(16)17)10-21(14,18)19/h11-12H,2-10H2,1H3.
What are the key properties of [1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 322.40 g/mol, XLogP of 0.25, 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-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).