(3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one

C24H23NO3S2 — CID 142858131

IUPAC(3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]3CC(=O)C[C@]3(Sc3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C24H23NO3S2/c1-17-6-10-23(11-7-17)30(27,28)25-15-20-13-21(26)14-24(20,16-25)29-22-9-8-18-4-2-3-5-19(18)12-22/h2-12,20H,13-16H2,1H3/t20-,24-/m0/s1
InChIKeyYDMKTDSCRGMLPU-RDPSFJRHSA-N
MW437.59 g/mol
LogP4.66
Rot. Bonds4

About (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one

(3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one (PubChem CID 142858131) has the molecular formula C24H23NO3S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one.

Molecular Properties

Compound Name(3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one
PubChem CID142858131
Molecular FormulaC24H23NO3S2
Molecular Weight437.59 g/mol
Exact Mass437.11
IUPAC Name(3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]3CC(=O)C[C@]3(Sc3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C24H23NO3S2/c1-17-6-10-23(11-7-17)30(27,28)25-15-20-13-21(26)14-24(20,16-25)29-22-9-8-18-4-2-3-5-19(18)12-22/h2-12,20H,13-16H2,1H3/t20-,24-/m0/s1
InChIKeyYDMKTDSCRGMLPU-RDPSFJRHSA-N
XLogP4.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one 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

4-bromo-6-(4-methylphenyl)sulfonyl-1-oxa-6-azaspiro[2.4]heptane
CID 123942341
11-methyl-3-(4-methylphenyl)sulfonyl-3-azatricyclo[5.2.2.01,5]undec-10-en-9-one
CID 74370953
methyl (7aS,10aS)-9-(4-methylphenyl)sulfonyl-7a,8,10,11-tetrahydro-7H-naphtho[1,2-f]isoindole-10a-carboxylate
CID 164665972
(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 11983814
3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
CID 139845178
(3S)-3-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 139092648
1,2-bis-(4-methylphenyl)sulfonyl-5-naphthalen-2-ylpyrazolidin-3-one
CID 132547966
(3aR,5aS,9aR)-2-(4-methylphenyl)sulfonyl-3,3a,4,5a,6,7,8,9-octahydro-1H-indeno[3,3a-c]pyrrol-5-one
CID 57341204
3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1,4-dihydroquinolin-2-one
CID 139836729
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-one
CID 13015124
(1R,5S)-7-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane-2,4-dione
CID 92539490

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one?
The IUPAC name of (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one (CID 142858131) is (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one.
What is the SMILES notation for (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one?
The canonical SMILES for (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one is Cc1ccc(S(=O)(=O)N2C[C@@H]3CC(=O)C[C@]3(Sc3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one?
The InChIKey is YDMKTDSCRGMLPU-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H23NO3S2/c1-17-6-10-23(11-7-17)30(27,28)25-15-20-13-21(26)14-24(20,16-25)29-22-9-8-18-4-2-3-5-19(18)12-22/h2-12,20H,13-16H2,1H3/t20-,24-/m0/s1.
What are the key properties of (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one?
(3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one has a molecular weight of 437.59 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-(4-methylphenyl)sulfonyl-3a-naphthalen-2-ylsulfanyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one is sourced from PubChem (CID 142858131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).