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

C8H16N2OS — CID 131181840

IUPAC5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCS(=O)N1CC2CNCC2C1
InChIInChI=1S/C8H16N2OS/c1-2-12(11)10-5-7-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3
InChIKeyYAMUQBUMLPNNMX-UHFFFAOYSA-N
MW188.30 g/mol
LogP-0.18
Rot. Bonds2

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

5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 131181840) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID131181840
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCS(=O)N1CC2CNCC2C1
InChIInChI=1S/C8H16N2OS/c1-2-12(11)10-5-7-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3
InChIKeyYAMUQBUMLPNNMX-UHFFFAOYSA-N
XLogP-0.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 131181840) is 5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCS(=O)N1CC2CNCC2C1.
What is the InChIKey of 5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is YAMUQBUMLPNNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-2-12(11)10-5-7-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3.
What are the key properties of 5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 188.30 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 131181840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).