5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C12H16Cl2N2O2S2 — CID 66210268

IUPAC5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H16Cl2N2O2S2/c1-2-9-8-5-15-4-7(8)6-16(9)20(17,18)10-3-11(13)19-12(10)14/h3,7-9,15H,2,4-6H2,1H3
InChIKeyUCNMSHMVBDXELA-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.67
Rot. Bonds3

About 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66210268) has the molecular formula C12H16Cl2N2O2S2 and a molecular weight of 355.31 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66210268
Molecular FormulaC12H16Cl2N2O2S2
Molecular Weight355.31 g/mol
Exact Mass354.00
IUPAC Name5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H16Cl2N2O2S2/c1-2-9-8-5-15-4-7(8)6-16(9)20(17,18)10-3-11(13)19-12(10)14/h3,7-9,15H,2,4-6H2,1H3
InChIKeyUCNMSHMVBDXELA-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66210268) is 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is UCNMSHMVBDXELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S2/c1-2-9-8-5-15-4-7(8)6-16(9)20(17,18)10-3-11(13)19-12(10)14/h3,7-9,15H,2,4-6H2,1H3.
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 355.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66210268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).