2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one

C13H23NO2S — CID 79933228

IUPAC2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCSCC2)C1=O
InChIInChI=1S/C13H23NO2S/c1-12(2)10(11(15)13(3,4)16-12)9-14-5-7-17-8-6-14/h10H,5-9H2,1-4H3
InChIKeyJIKKFWNKYUZAOI-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.81
Rot. Bonds2

About 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one

2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one (PubChem CID 79933228) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one
PubChem CID79933228
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCSCC2)C1=O
InChIInChI=1S/C13H23NO2S/c1-12(2)10(11(15)13(3,4)16-12)9-14-5-7-17-8-6-14/h10H,5-9H2,1-4H3
InChIKeyJIKKFWNKYUZAOI-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one (CID 79933228) is 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one is CC1(C)OC(C)(C)C(CN2CCSCC2)C1=O.
What is the InChIKey of 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one?
The InChIKey is JIKKFWNKYUZAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-12(2)10(11(15)13(3,4)16-12)9-14-5-7-17-8-6-14/h10H,5-9H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one?
2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one has a molecular weight of 257.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-(thiomorpholin-4-ylmethyl)oxolan-3-one is sourced from PubChem (CID 79933228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).