1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H16FNO5S — CID 168713552

IUPAC1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC1(C)OCC(N2CC(S(=O)(=O)F)CC2=O)CO1
InChIInChI=1S/C10H16FNO5S/c1-10(2)16-5-7(6-17-10)12-4-8(3-9(12)13)18(11,14)15/h7-8H,3-6H2,1-2H3
InChIKeyJWWJGZOMMWZKAE-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.04
Rot. Bonds2

About 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713552) has the molecular formula C10H16FNO5S and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713552
Molecular FormulaC10H16FNO5S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC1(C)OCC(N2CC(S(=O)(=O)F)CC2=O)CO1
InChIInChI=1S/C10H16FNO5S/c1-10(2)16-5-7(6-17-10)12-4-8(3-9(12)13)18(11,14)15/h7-8H,3-6H2,1-2H3
InChIKeyJWWJGZOMMWZKAE-UHFFFAOYSA-N
XLogP0.04
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713552) is 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is CC1(C)OCC(N2CC(S(=O)(=O)F)CC2=O)CO1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is JWWJGZOMMWZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO5S/c1-10(2)16-5-7(6-17-10)12-4-8(3-9(12)13)18(11,14)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 281.30 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).