1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one

C11H19NO3S — CID 117019113

IUPAC1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one
SMILESCC1(C)C(=O)CCCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO3S/c1-11(2)10(13)4-3-6-12(11)9-5-7-16(14,15)8-9/h9H,3-8H2,1-2H3
InChIKeyOHIOPYDRHLZTOS-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.62
Rot. Bonds1

About 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one

1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one (PubChem CID 117019113) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one
PubChem CID117019113
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one
SMILESCC1(C)C(=O)CCCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO3S/c1-11(2)10(13)4-3-6-12(11)9-5-7-16(14,15)8-9/h9H,3-8H2,1-2H3
InChIKeyOHIOPYDRHLZTOS-UHFFFAOYSA-N
XLogP0.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one (CID 117019113) is 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one is CC1(C)C(=O)CCCN1C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one?
The InChIKey is OHIOPYDRHLZTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-11(2)10(13)4-3-6-12(11)9-5-7-16(14,15)8-9/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one?
1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one has a molecular weight of 245.34 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one is sourced from PubChem (CID 117019113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).