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

C11H15ClN2O2S2 — CID 66209964

IUPAC5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S2/c1-7-9-5-13-4-8(9)6-14(7)18(15,16)11-3-2-10(12)17-11/h2-3,7-9,13H,4-6H2,1H3
InChIKeyPIWOPRLYMCPQGX-UHFFFAOYSA-N
MW306.84 g/mol
LogP1.63
Rot. Bonds2

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

5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209964) has the molecular formula C11H15ClN2O2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209964
Molecular FormulaC11H15ClN2O2S2
Molecular Weight306.84 g/mol
Exact Mass306.03
IUPAC Name5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S2/c1-7-9-5-13-4-8(9)6-14(7)18(15,16)11-3-2-10(12)17-11/h2-3,7-9,13H,4-6H2,1H3
InChIKeyPIWOPRLYMCPQGX-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-chlorothiophen-2-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-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209964) is 5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is PIWOPRLYMCPQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S2/c1-7-9-5-13-4-8(9)6-14(7)18(15,16)11-3-2-10(12)17-11/h2-3,7-9,13H,4-6H2,1H3.
What are the key properties of 5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 306.84 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).