3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one

C8H15NO3S — CID 165475329

IUPAC3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one
SMILESCCC1(CC)C(=O)CS(=O)(=O)N1C
InChIInChI=1S/C8H15NO3S/c1-4-8(5-2)7(10)6-13(11,12)9(8)3/h4-6H2,1-3H3
InChIKeyPJCSNCMAYUWZAP-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.39
Rot. Bonds2

About 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one

3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one (PubChem CID 165475329) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one.

Molecular Properties

Compound Name3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one
PubChem CID165475329
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one
SMILESCCC1(CC)C(=O)CS(=O)(=O)N1C
InChIInChI=1S/C8H15NO3S/c1-4-8(5-2)7(10)6-13(11,12)9(8)3/h4-6H2,1-3H3
InChIKeyPJCSNCMAYUWZAP-UHFFFAOYSA-N
XLogP0.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one?
The IUPAC name of 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one (CID 165475329) is 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one.
What is the SMILES notation for 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one?
The canonical SMILES for 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one is CCC1(CC)C(=O)CS(=O)(=O)N1C.
What is the InChIKey of 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one?
The InChIKey is PJCSNCMAYUWZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-4-8(5-2)7(10)6-13(11,12)9(8)3/h4-6H2,1-3H3.
What are the key properties of 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one?
3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one has a molecular weight of 205.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazolidin-4-one is sourced from PubChem (CID 165475329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).