1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C11H19FN2O4S — CID 168713130

IUPAC1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(CN1CC(S(=O)(=O)F)CC1=O)N1CCOCC1
InChIInChI=1S/C11H19FN2O4S/c1-9(13-2-4-18-5-3-13)7-14-8-10(6-11(14)15)19(12,16)17/h9-10H,2-8H2,1H3
InChIKeyRWFWALRCSJGTCB-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.39
Rot. Bonds4

About 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713130) has the molecular formula C11H19FN2O4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713130
Molecular FormulaC11H19FN2O4S
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(CN1CC(S(=O)(=O)F)CC1=O)N1CCOCC1
InChIInChI=1S/C11H19FN2O4S/c1-9(13-2-4-18-5-3-13)7-14-8-10(6-11(14)15)19(12,16)17/h9-10H,2-8H2,1H3
InChIKeyRWFWALRCSJGTCB-UHFFFAOYSA-N
XLogP-0.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.39
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-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713130) is 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride is CC(CN1CC(S(=O)(=O)F)CC1=O)N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is RWFWALRCSJGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O4S/c1-9(13-2-4-18-5-3-13)7-14-8-10(6-11(14)15)19(12,16)17/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 294.35 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).