2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine

C11H21NOS — CID 130503579

IUPAC2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine
SMILESCCC1(C2CCOC2)NC(C)(C)CS1
InChIInChI=1S/C11H21NOS/c1-4-11(9-5-6-13-7-9)12-10(2,3)8-14-11/h9,12H,4-8H2,1-3H3
InChIKeyHJZYFJGQOGTPIL-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.24
Rot. Bonds2

About 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine

2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine (PubChem CID 130503579) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine
PubChem CID130503579
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine
SMILESCCC1(C2CCOC2)NC(C)(C)CS1
InChIInChI=1S/C11H21NOS/c1-4-11(9-5-6-13-7-9)12-10(2,3)8-14-11/h9,12H,4-8H2,1-3H3
InChIKeyHJZYFJGQOGTPIL-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine?
The IUPAC name of 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine (CID 130503579) is 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine?
The canonical SMILES for 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine is CCC1(C2CCOC2)NC(C)(C)CS1.
What is the InChIKey of 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine?
The InChIKey is HJZYFJGQOGTPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-11(9-5-6-13-7-9)12-10(2,3)8-14-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine?
2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine has a molecular weight of 215.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine is sourced from PubChem (CID 130503579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).