4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide

C10H18F3N3O2S — CID 114811060

IUPAC4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
SMILESCC1(C)C2CNCC2CN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2S/c1-9(2)8-4-14-3-7(8)5-16(9)19(17,18)15-6-10(11,12)13/h7-8,14-15H,3-6H2,1-2H3
InChIKeyGGQRUCPUAXWYHN-UHFFFAOYSA-N
MW301.33 g/mol
LogP0.31
Rot. Bonds3

About 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide

4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide (PubChem CID 114811060) has the molecular formula C10H18F3N3O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
PubChem CID114811060
Molecular FormulaC10H18F3N3O2S
Molecular Weight301.33 g/mol
Exact Mass301.11
IUPAC Name4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
SMILESCC1(C)C2CNCC2CN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2S/c1-9(2)8-4-14-3-7(8)5-16(9)19(17,18)15-6-10(11,12)13/h7-8,14-15H,3-6H2,1-2H3
InChIKeyGGQRUCPUAXWYHN-UHFFFAOYSA-N
XLogP0.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
The IUPAC name of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide (CID 114811060) is 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide.
What is the SMILES notation for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
The canonical SMILES for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide is CC1(C)C2CNCC2CN1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
The InChIKey is GGQRUCPUAXWYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2S/c1-9(2)8-4-14-3-7(8)5-16(9)19(17,18)15-6-10(11,12)13/h7-8,14-15H,3-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide has a molecular weight of 301.33 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide is sourced from PubChem (CID 114811060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).