2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol

C6H13NO3S — CID 163338317

IUPAC2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol
SMILESCN1C(C)(C)C(O)CS1(=O)=O
InChIInChI=1S/C6H13NO3S/c1-6(2)5(8)4-11(9,10)7(6)3/h5,8H,4H2,1-3H3
InChIKeyVCWZHFGSASGUCP-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.60
Rot. Bonds

About 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol

2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol (PubChem CID 163338317) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol
PubChem CID163338317
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol
SMILESCN1C(C)(C)C(O)CS1(=O)=O
InChIInChI=1S/C6H13NO3S/c1-6(2)5(8)4-11(9,10)7(6)3/h5,8H,4H2,1-3H3
InChIKeyVCWZHFGSASGUCP-UHFFFAOYSA-N
XLogP-0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol?
The IUPAC name of 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol (CID 163338317) is 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol.
What is the SMILES notation for 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol?
The canonical SMILES for 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol is CN1C(C)(C)C(O)CS1(=O)=O.
What is the InChIKey of 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol?
The InChIKey is VCWZHFGSASGUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-6(2)5(8)4-11(9,10)7(6)3/h5,8H,4H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol?
2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol has a molecular weight of 179.24 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol is sourced from PubChem (CID 163338317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).