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

C9H16F3N3O2S — CID 114810360

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
SMILESCC1CC2CNCC2N1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2S/c1-6-2-7-3-13-4-8(7)15(6)18(16,17)14-5-9(10,11)12/h6-8,13-14H,2-5H2,1H3
InChIKeyQWHGDHXOWIDFHA-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.07
Rot. Bonds3

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

2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide (PubChem CID 114810360) has the molecular formula C9H16F3N3O2S and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
PubChem CID114810360
Molecular FormulaC9H16F3N3O2S
Molecular Weight287.31 g/mol
Exact Mass287.09
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
SMILESCC1CC2CNCC2N1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2S/c1-6-2-7-3-13-4-8(7)15(6)18(16,17)14-5-9(10,11)12/h6-8,13-14H,2-5H2,1H3
InChIKeyQWHGDHXOWIDFHA-UHFFFAOYSA-N
XLogP0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide (CID 114810360) is 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide is CC1CC2CNCC2N1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
The InChIKey is QWHGDHXOWIDFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2S/c1-6-2-7-3-13-4-8(7)15(6)18(16,17)14-5-9(10,11)12/h6-8,13-14H,2-5H2,1H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide has a molecular weight of 287.31 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide is sourced from PubChem (CID 114810360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).