(3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C10H20N2O2S — CID 118534930

IUPAC(3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]2C1
InChIInChI=1S/C10H20N2O2S/c1-11-5-9-7-12(8-10(9)6-11)3-4-15(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyQXAPENOUOAHASG-AOOOYVTPSA-N
MW232.35 g/mol
LogP-0.48
Rot. Bonds3

About (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

(3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 118534930) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID118534930
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name(3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]2C1
InChIInChI=1S/C10H20N2O2S/c1-11-5-9-7-12(8-10(9)6-11)3-4-15(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyQXAPENOUOAHASG-AOOOYVTPSA-N
XLogP-0.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[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 (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 118534930) is (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1C[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is QXAPENOUOAHASG-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-11-5-9-7-12(8-10(9)6-11)3-4-15(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10+.
What are the key properties of (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
(3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 232.35 g/mol, XLogP of -0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-methyl-5-(2-methylsulfonylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 118534930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).