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

C11H14Cl2N2O2S2 — CID 43598087

IUPAC1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2O2S2/c1-6-2-7-4-14-5-8(7)15(6)19(16,17)9-3-10(12)18-11(9)13/h3,6-8,14H,2,4-5H2,1H3
InChIKeyAKKXKZUOOUFIPO-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.43
Rot. Bonds2

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

1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 43598087) has the molecular formula C11H14Cl2N2O2S2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID43598087
Molecular FormulaC11H14Cl2N2O2S2
Molecular Weight341.29 g/mol
Exact Mass339.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2O2S2/c1-6-2-7-4-14-5-8(7)15(6)19(16,17)9-3-10(12)18-11(9)13/h3,6-8,14H,2,4-5H2,1H3
InChIKeyAKKXKZUOOUFIPO-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 43598087) is 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is CC1CC2CNCC2N1S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is AKKXKZUOOUFIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S2/c1-6-2-7-4-14-5-8(7)15(6)19(16,17)9-3-10(12)18-11(9)13/h3,6-8,14H,2,4-5H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 341.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 43598087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).