4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C12H16N2O3S — CID 117030024

IUPAC4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCNc1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1
InChIInChI=1S/C12H16N2O3S/c1-12(2)8-18(16,17)14(11(12)15)10-6-4-5-9(7-10)13-3/h4-7,13H,8H2,1-3H3
InChIKeyZSRVWVHJLLFTDS-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.43
Rot. Bonds2

About 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 117030024) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID117030024
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCNc1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1
InChIInChI=1S/C12H16N2O3S/c1-12(2)8-18(16,17)14(11(12)15)10-6-4-5-9(7-10)13-3/h4-7,13H,8H2,1-3H3
InChIKeyZSRVWVHJLLFTDS-UHFFFAOYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 117030024) is 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is CNc1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1.
What is the InChIKey of 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is ZSRVWVHJLLFTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-12(2)8-18(16,17)14(11(12)15)10-6-4-5-9(7-10)13-3/h4-7,13H,8H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 268.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 117030024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).