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

C8H16N2O4S2 — CID 82843470

IUPAC5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCS(=O)(=O)CS(=O)(=O)N1CC2CNCC2C1
InChIInChI=1S/C8H16N2O4S2/c1-15(11,12)6-16(13,14)10-4-7-2-9-3-8(7)5-10/h7-9H,2-6H2,1H3
InChIKeyVULXEYTXOMOPNW-UHFFFAOYSA-N
MW268.36 g/mol
LogP-1.53
Rot. Bonds3

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

5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 82843470) has the molecular formula C8H16N2O4S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID82843470
Molecular FormulaC8H16N2O4S2
Molecular Weight268.36 g/mol
Exact Mass268.06
IUPAC Name5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCS(=O)(=O)CS(=O)(=O)N1CC2CNCC2C1
InChIInChI=1S/C8H16N2O4S2/c1-15(11,12)6-16(13,14)10-4-7-2-9-3-8(7)5-10/h7-9H,2-6H2,1H3
InChIKeyVULXEYTXOMOPNW-UHFFFAOYSA-N
XLogP-1.53
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 82843470) is 5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CS(=O)(=O)CS(=O)(=O)N1CC2CNCC2C1.
What is the InChIKey of 5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is VULXEYTXOMOPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S2/c1-15(11,12)6-16(13,14)10-4-7-2-9-3-8(7)5-10/h7-9H,2-6H2,1H3.
What are the key properties of 5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 268.36 g/mol, XLogP of -1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 82843470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).