4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide

C11H21NO3S — CID 117228759

IUPAC4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide
SMILESCC1CNC(C)(CC2CCS(=O)(=O)CC2)O1
InChIInChI=1S/C11H21NO3S/c1-9-8-12-11(2,15-9)7-10-3-5-16(13,14)6-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWJNAMVXMHGSNEZ-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.93
Rot. Bonds2

About 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide

4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide (PubChem CID 117228759) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide
PubChem CID117228759
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide
SMILESCC1CNC(C)(CC2CCS(=O)(=O)CC2)O1
InChIInChI=1S/C11H21NO3S/c1-9-8-12-11(2,15-9)7-10-3-5-16(13,14)6-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWJNAMVXMHGSNEZ-UHFFFAOYSA-N
XLogP0.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide 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 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide?
The IUPAC name of 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide (CID 117228759) is 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide is CC1CNC(C)(CC2CCS(=O)(=O)CC2)O1.
What is the InChIKey of 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide?
The InChIKey is WJNAMVXMHGSNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9-8-12-11(2,15-9)7-10-3-5-16(13,14)6-4-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide?
4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide has a molecular weight of 247.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide is sourced from PubChem (CID 117228759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).