4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one

C9H16N2O4S — CID 79886071

IUPAC4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC2CNCCO2)S1(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-9(2)8(12)11(16(9,13)14)6-7-5-10-3-4-15-7/h7,10H,3-6H2,1-2H3
InChIKeyVVDIZFQKUMNGPV-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.07
Rot. Bonds2

About 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one

4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one (PubChem CID 79886071) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one
PubChem CID79886071
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC2CNCCO2)S1(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-9(2)8(12)11(16(9,13)14)6-7-5-10-3-4-15-7/h7,10H,3-6H2,1-2H3
InChIKeyVVDIZFQKUMNGPV-UHFFFAOYSA-N
XLogP-1.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one?
The IUPAC name of 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one (CID 79886071) is 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(CC2CNCCO2)S1(=O)=O.
What is the InChIKey of 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one?
The InChIKey is VVDIZFQKUMNGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-9(2)8(12)11(16(9,13)14)6-7-5-10-3-4-15-7/h7,10H,3-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one?
4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one has a molecular weight of 248.30 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).