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

C8H14F2N2O2S — CID 43598081

IUPAC1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)C(F)F
InChIInChI=1S/C8H14F2N2O2S/c1-5-2-6-3-11-4-7(6)12(5)15(13,14)8(9)10/h5-8,11H,2-4H2,1H3
InChIKeyPORSYPCQMFKPDK-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.22
Rot. Bonds2

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

1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 43598081) has the molecular formula C8H14F2N2O2S and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID43598081
Molecular FormulaC8H14F2N2O2S
Molecular Weight240.27 g/mol
Exact Mass240.07
IUPAC Name1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)C(F)F
InChIInChI=1S/C8H14F2N2O2S/c1-5-2-6-3-11-4-7(6)12(5)15(13,14)8(9)10/h5-8,11H,2-4H2,1H3
InChIKeyPORSYPCQMFKPDK-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethylsulfonyl)-2-methyl-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 1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 43598081) is 1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is CC1CC2CNCC2N1S(=O)(=O)C(F)F.
What is the InChIKey of 1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is PORSYPCQMFKPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2S/c1-5-2-6-3-11-4-7(6)12(5)15(13,14)8(9)10/h5-8,11H,2-4H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 240.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 43598081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).