4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one

C11H20N2O4S — CID 79886148

IUPAC4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one
SMILESCC1(C)C(=O)N(CCOC2CCNCC2)S1(=O)=O
InChIInChI=1S/C11H20N2O4S/c1-11(2)10(14)13(18(11,15)16)7-8-17-9-3-5-12-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyJXTIUPXSGKAGIL-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.29
Rot. Bonds4

About 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one

4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one (PubChem CID 79886148) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one
PubChem CID79886148
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one
SMILESCC1(C)C(=O)N(CCOC2CCNCC2)S1(=O)=O
InChIInChI=1S/C11H20N2O4S/c1-11(2)10(14)13(18(11,15)16)7-8-17-9-3-5-12-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyJXTIUPXSGKAGIL-UHFFFAOYSA-N
XLogP-0.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one?
The IUPAC name of 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one (CID 79886148) is 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one?
The canonical SMILES for 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one is CC1(C)C(=O)N(CCOC2CCNCC2)S1(=O)=O.
What is the InChIKey of 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one?
The InChIKey is JXTIUPXSGKAGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(2)10(14)13(18(11,15)16)7-8-17-9-3-5-12-6-4-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one?
4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one has a molecular weight of 276.36 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one is sourced from PubChem (CID 79886148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).