2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol

C11H23NO3S — CID 104550342

IUPAC2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol
SMILESCC(C)CC(C)(O)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(2)5-11(4,13)8-12-6-10(3)7-16(12,14)15/h9-10,13H,5-8H2,1-4H3
InChIKeyUHAOLYLIPXWSGE-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.07
Rot. Bonds4

About 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol

2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol (PubChem CID 104550342) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol
PubChem CID104550342
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol
SMILESCC(C)CC(C)(O)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(2)5-11(4,13)8-12-6-10(3)7-16(12,14)15/h9-10,13H,5-8H2,1-4H3
InChIKeyUHAOLYLIPXWSGE-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol (CID 104550342) is 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol is CC(C)CC(C)(O)CN1CC(C)CS1(=O)=O.
What is the InChIKey of 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol?
The InChIKey is UHAOLYLIPXWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(2)5-11(4,13)8-12-6-10(3)7-16(12,14)15/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol?
2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol has a molecular weight of 249.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol is sourced from PubChem (CID 104550342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).