2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide

C13H18N2O2S — CID 51360547

IUPAC2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide
SMILESCN1CC2CN(Cc3ccccc3)S(=O)(=O)C2C1
InChIInChI=1S/C13H18N2O2S/c1-14-8-12-9-15(18(16,17)13(12)10-14)7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyAZDQEZGLKNPWJS-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.76
Rot. Bonds2

About 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide

2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide (PubChem CID 51360547) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide
PubChem CID51360547
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide
SMILESCN1CC2CN(Cc3ccccc3)S(=O)(=O)C2C1
InChIInChI=1S/C13H18N2O2S/c1-14-8-12-9-15(18(16,17)13(12)10-14)7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyAZDQEZGLKNPWJS-UHFFFAOYSA-N
XLogP0.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 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 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide (CID 51360547) is 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide is CN1CC2CN(Cc3ccccc3)S(=O)(=O)C2C1.
What is the InChIKey of 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide?
The InChIKey is AZDQEZGLKNPWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-14-8-12-9-15(18(16,17)13(12)10-14)7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3.
What are the key properties of 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide?
2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide has a molecular weight of 266.37 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 51360547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).