1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C12H21FN2O4S — CID 168713120

IUPAC1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(CCN1CC(S(=O)(=O)F)CC1=O)N1CCOCC1
InChIInChI=1S/C12H21FN2O4S/c1-10(14-4-6-19-7-5-14)2-3-15-9-11(8-12(15)16)20(13,17)18/h10-11H,2-9H2,1H3
InChIKeyHQGMRMMVBGAYOU-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.00
Rot. Bonds5

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

1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713120) has the molecular formula C12H21FN2O4S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713120
Molecular FormulaC12H21FN2O4S
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(CCN1CC(S(=O)(=O)F)CC1=O)N1CCOCC1
InChIInChI=1S/C12H21FN2O4S/c1-10(14-4-6-19-7-5-14)2-3-15-9-11(8-12(15)16)20(13,17)18/h10-11H,2-9H2,1H3
InChIKeyHQGMRMMVBGAYOU-UHFFFAOYSA-N
XLogP-0.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.00
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-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713120) is 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride is CC(CCN1CC(S(=O)(=O)F)CC1=O)N1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HQGMRMMVBGAYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O4S/c1-10(14-4-6-19-7-5-14)2-3-15-9-11(8-12(15)16)20(13,17)18/h10-11H,2-9H2,1H3.
What are the key properties of 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 308.38 g/mol, XLogP of -0.00, 5 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-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).