4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one

C9H16N2O3S — CID 79873568

IUPAC4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCCNC2)S1(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-9(2)8(12)11(15(9,13)14)7-4-3-5-10-6-7/h7,10H,3-6H2,1-2H3
InChIKeyUHBBXLYZJWTORT-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.31
Rot. Bonds1

About 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one

4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one (PubChem CID 79873568) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one
PubChem CID79873568
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCCNC2)S1(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-9(2)8(12)11(15(9,13)14)7-4-3-5-10-6-7/h7,10H,3-6H2,1-2H3
InChIKeyUHBBXLYZJWTORT-UHFFFAOYSA-N
XLogP-0.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one?
The IUPAC name of 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one (CID 79873568) is 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one?
The canonical SMILES for 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one is CC1(C)C(=O)N(C2CCCNC2)S1(=O)=O.
What is the InChIKey of 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one?
The InChIKey is UHBBXLYZJWTORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9(2)8(12)11(15(9,13)14)7-4-3-5-10-6-7/h7,10H,3-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one?
4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one has a molecular weight of 232.30 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,1-dioxo-2-piperidin-3-ylthiazetidin-3-one is sourced from PubChem (CID 79873568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).