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

C10H17FN2O4S — CID 168714840

IUPAC1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCN1CCOCC1
InChIInChI=1S/C10H17FN2O4S/c11-18(15,16)9-7-10(14)13(8-9)2-1-12-3-5-17-6-4-12/h9H,1-8H2
InChIKeyHPXSLAUFXYQHMZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.78
Rot. Bonds4

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

1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714840) has the molecular formula C10H17FN2O4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714840
Molecular FormulaC10H17FN2O4S
Molecular Weight280.32 g/mol
Exact Mass280.09
IUPAC Name1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCN1CCOCC1
InChIInChI=1S/C10H17FN2O4S/c11-18(15,16)9-7-10(14)13(8-9)2-1-12-3-5-17-6-4-12/h9H,1-8H2
InChIKeyHPXSLAUFXYQHMZ-UHFFFAOYSA-N
XLogP-0.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.78
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-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714840) is 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HPXSLAUFXYQHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O4S/c11-18(15,16)9-7-10(14)13(8-9)2-1-12-3-5-17-6-4-12/h9H,1-8H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 280.32 g/mol, XLogP of -0.78, 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-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).