2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride

C6H11FN2O2S — CID 167740534

IUPAC2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride
SMILESO=S(=O)(F)C12CNCC1CNC2
InChIInChI=1S/C6H11FN2O2S/c7-12(10,11)6-3-8-1-5(6)2-9-4-6/h5,8-9H,1-4H2
InChIKeyZSWAZWWNNLIGKP-UHFFFAOYSA-N
MW194.23 g/mol
LogP-1.15
Rot. Bonds1

About 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride

2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride (PubChem CID 167740534) has the molecular formula C6H11FN2O2S and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride.

Molecular Properties

Compound Name2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride
PubChem CID167740534
Molecular FormulaC6H11FN2O2S
Molecular Weight194.23 g/mol
Exact Mass194.05
IUPAC Name2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride
SMILESO=S(=O)(F)C12CNCC1CNC2
InChIInChI=1S/C6H11FN2O2S/c7-12(10,11)6-3-8-1-5(6)2-9-4-6/h5,8-9H,1-4H2
InChIKeyZSWAZWWNNLIGKP-UHFFFAOYSA-N
XLogP-1.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride?
The IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride (CID 167740534) is 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride.
What is the SMILES notation for 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride?
The canonical SMILES for 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride is O=S(=O)(F)C12CNCC1CNC2.
What is the InChIKey of 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride?
The InChIKey is ZSWAZWWNNLIGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2S/c7-12(10,11)6-3-8-1-5(6)2-9-4-6/h5,8-9H,1-4H2.
What are the key properties of 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride?
2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride has a molecular weight of 194.23 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-sulfonyl fluoride is sourced from PubChem (CID 167740534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).