[1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H20N2O5S — CID 168680635

IUPAC[1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC1(C)OCC(N2CC(CS(N)(=O)=O)CC2=O)CO1
InChIInChI=1S/C11H20N2O5S/c1-11(2)17-5-9(6-18-11)13-4-8(3-10(13)14)7-19(12,15)16/h8-9H,3-7H2,1-2H3,(H2,12,15,16)
InChIKeySXEXDHJITKKBDX-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.73
Rot. Bonds3

About [1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680635) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is [1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680635
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name[1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC1(C)OCC(N2CC(CS(N)(=O)=O)CC2=O)CO1
InChIInChI=1S/C11H20N2O5S/c1-11(2)17-5-9(6-18-11)13-4-8(3-10(13)14)7-19(12,15)16/h8-9H,3-7H2,1-2H3,(H2,12,15,16)
InChIKeySXEXDHJITKKBDX-UHFFFAOYSA-N
XLogP-0.73
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
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-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680635) is [1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CC1(C)OCC(N2CC(CS(N)(=O)=O)CC2=O)CO1.
What is the InChIKey of [1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SXEXDHJITKKBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-11(2)17-5-9(6-18-11)13-4-8(3-10(13)14)7-19(12,15)16/h8-9H,3-7H2,1-2H3,(H2,12,15,16).
What are the key properties of [1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 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-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).