2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

C8H13F3N2O2S — CID 43598056

IUPAC2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2S/c1-5-2-6-3-12-4-7(6)13(5)16(14,15)8(9,10)11/h5-7,12H,2-4H2,1H3
InChIKeyOPBZCZQWIWLKJL-UHFFFAOYSA-N
MW258.26 g/mol
LogP0.52
Rot. Bonds1

About 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 43598056) has the molecular formula C8H13F3N2O2S and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID43598056
Molecular FormulaC8H13F3N2O2S
Molecular Weight258.26 g/mol
Exact Mass258.06
IUPAC Name2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2S/c1-5-2-6-3-12-4-7(6)13(5)16(14,15)8(9,10)11/h5-7,12H,2-4H2,1H3
InChIKeyOPBZCZQWIWLKJL-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole 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-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 43598056) is 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is CC1CC2CNCC2N1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is OPBZCZQWIWLKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2S/c1-5-2-6-3-12-4-7(6)13(5)16(14,15)8(9,10)11/h5-7,12H,2-4H2,1H3.
What are the key properties of 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 258.26 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(trifluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 43598056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).