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

C11H14Cl2N2O2S2 — CID 66209767

IUPAC5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2O2S2/c1-6-8-4-14-3-7(8)5-15(6)19(16,17)9-2-10(12)18-11(9)13/h2,6-8,14H,3-5H2,1H3
InChIKeyYEGDRYNWWLZWPV-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.28
Rot. Bonds2

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

5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209767) has the molecular formula C11H14Cl2N2O2S2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209767
Molecular FormulaC11H14Cl2N2O2S2
Molecular Weight341.29 g/mol
Exact Mass339.99
IUPAC Name5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2O2S2/c1-6-8-4-14-3-7(8)5-15(6)19(16,17)9-2-10(12)18-11(9)13/h2,6-8,14H,3-5H2,1H3
InChIKeyYEGDRYNWWLZWPV-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-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-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209767) is 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-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-methyl-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-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is YEGDRYNWWLZWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S2/c1-6-8-4-14-3-7(8)5-15(6)19(16,17)9-2-10(12)18-11(9)13/h2,6-8,14H,3-5H2,1H3.
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(2,5-dichlorothiophen-3-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 341.29 g/mol, XLogP of 2.28, 2 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-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).