2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one

C8H15NO3S — CID 165475333

IUPAC2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one
SMILESCCCC1(C)C(=O)CS(=O)(=O)N1C
InChIInChI=1S/C8H15NO3S/c1-4-5-8(2)7(10)6-13(11,12)9(8)3/h4-6H2,1-3H3
InChIKeyYENQVIJKKSZXON-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.39
Rot. Bonds2

About 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one

2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one (PubChem CID 165475333) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one
PubChem CID165475333
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one
SMILESCCCC1(C)C(=O)CS(=O)(=O)N1C
InChIInChI=1S/C8H15NO3S/c1-4-5-8(2)7(10)6-13(11,12)9(8)3/h4-6H2,1-3H3
InChIKeyYENQVIJKKSZXON-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 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one?
The IUPAC name of 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one (CID 165475333) is 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one?
The canonical SMILES for 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one is CCCC1(C)C(=O)CS(=O)(=O)N1C.
What is the InChIKey of 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one?
The InChIKey is YENQVIJKKSZXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-4-5-8(2)7(10)6-13(11,12)9(8)3/h4-6H2,1-3H3.
What are the key properties of 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one?
2,3-dimethyl-1,1-dioxo-3-propyl-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 2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-one is sourced from PubChem (CID 165475333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).