4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one

C11H15N3O3S — CID 79886523

IUPAC4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one
SMILESCNc1ccnc(CN2C(=O)C(C)(C)S2(=O)=O)c1
InChIInChI=1S/C11H15N3O3S/c1-11(2)10(15)14(18(11,16)17)7-9-6-8(12-3)4-5-13-9/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyZBQFPPCLQZDBPK-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.57
Rot. Bonds3

About 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one

4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one (PubChem CID 79886523) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one
PubChem CID79886523
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one
SMILESCNc1ccnc(CN2C(=O)C(C)(C)S2(=O)=O)c1
InChIInChI=1S/C11H15N3O3S/c1-11(2)10(15)14(18(11,16)17)7-9-6-8(12-3)4-5-13-9/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyZBQFPPCLQZDBPK-UHFFFAOYSA-N
XLogP0.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-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-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one?
The IUPAC name of 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one (CID 79886523) is 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one is CNc1ccnc(CN2C(=O)C(C)(C)S2(=O)=O)c1.
What is the InChIKey of 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one?
The InChIKey is ZBQFPPCLQZDBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-11(2)10(15)14(18(11,16)17)7-9-6-8(12-3)4-5-13-9/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one?
4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one has a molecular weight of 269.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).