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

C15H20N2O2S — CID 77114839

IUPAC4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-12-15-10-16-9-14(15)11-17(12)20(18,19)8-7-13-5-3-2-4-6-13/h2-8,12,14-16H,9-11H2,1H3
InChIKeyRQPHNIWVEVFRKW-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.53
Rot. Bonds3

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

4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 77114839) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID77114839
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-12-15-10-16-9-14(15)11-17(12)20(18,19)8-7-13-5-3-2-4-6-13/h2-8,12,14-16H,9-11H2,1H3
InChIKeyRQPHNIWVEVFRKW-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-(2-phenylethenylsulfonyl)-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

Related Compounds

N-(azetidin-3-yl)-2-phenylethenesulfonamide
CID 77114365
5-(3-chloro-2-fluorophenyl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207456
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide
CID 66208228
4-methyl-5-(2-methylpropylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210347
5-(2-chloro-4-fluorophenyl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208811
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide
CID 9493426
3-ethyl-4-(2-phenylethenylsulfonyl)piperazine-2,6-dione
CID 77111938
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680781
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
2-[1-(2-phenylethenylsulfonyl)azetidin-3-yl]acetic acid
CID 77049989
methyl 4-hydroxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine-2-carboxylate
CID 115971436

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 77114839) is 4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of 4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is RQPHNIWVEVFRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-15-10-16-9-14(15)11-17(12)20(18,19)8-7-13-5-3-2-4-6-13/h2-8,12,14-16H,9-11H2,1H3.
What are the key properties of 4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 292.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-phenylethenylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 77114839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).