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

C5H10N2O2S — CID 68811480

IUPAC3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)NCC2CNCC21
InChIInChI=1S/C5H10N2O2S/c8-10(9)5-3-6-1-4(5)2-7-10/h4-7H,1-3H2
InChIKeyWAAHHQKAZGVTHU-UHFFFAOYSA-N
MW162.21 g/mol
LogP-1.49
Rot. Bonds

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

3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide (PubChem CID 68811480) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide
PubChem CID68811480
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)NCC2CNCC21
InChIInChI=1S/C5H10N2O2S/c8-10(9)5-3-6-1-4(5)2-7-10/h4-7H,1-3H2
InChIKeyWAAHHQKAZGVTHU-UHFFFAOYSA-N
XLogP-1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide (CID 68811480) is 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide is O=S1(=O)NCC2CNCC21.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide?
The InChIKey is WAAHHQKAZGVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c8-10(9)5-3-6-1-4(5)2-7-10/h4-7H,1-3H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide?
3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide has a molecular weight of 162.21 g/mol, XLogP of -1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 68811480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).