(4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane

C24H28O2S — CID 11315020

IUPAC(4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane
SMILESCc1ccc(SC2=CCC[C@@H]2[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H28O2S/c1-17-12-14-19(15-13-17)27-22-11-7-10-20(22)21-16-25-24(2,3)26-23(21)18-8-5-4-6-9-18/h4-6,8-9,11-15,20-21,23H,7,10,16H2,1-3H3/t20-,21+,23-/m1/s1
InChIKeyVQRQQXGQMAOFAZ-FUPPJEDESA-N
MW380.55 g/mol
LogP6.52
Rot. Bonds4

About (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane

(4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane (PubChem CID 11315020) has the molecular formula C24H28O2S and a molecular weight of 380.55 g/mol. Its IUPAC name is (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane.

Molecular Properties

Compound Name(4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane
PubChem CID11315020
Molecular FormulaC24H28O2S
Molecular Weight380.55 g/mol
Exact Mass380.18
IUPAC Name(4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane
SMILESCc1ccc(SC2=CCC[C@@H]2[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H28O2S/c1-17-12-14-19(15-13-17)27-22-11-7-10-20(22)21-16-25-24(2,3)26-23(21)18-8-5-4-6-9-18/h4-6,8-9,11-15,20-21,23H,7,10,16H2,1-3H3/t20-,21+,23-/m1/s1
InChIKeyVQRQQXGQMAOFAZ-FUPPJEDESA-N
XLogP6.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.55
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane 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 (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane?
The IUPAC name of (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane (CID 11315020) is (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane.
What is the SMILES notation for (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane?
The canonical SMILES for (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane is Cc1ccc(SC2=CCC[C@@H]2[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane?
The InChIKey is VQRQQXGQMAOFAZ-FUPPJEDESA-N. The full InChI is InChI=1S/C24H28O2S/c1-17-12-14-19(15-13-17)27-22-11-7-10-20(22)21-16-25-24(2,3)26-23(21)18-8-5-4-6-9-18/h4-6,8-9,11-15,20-21,23H,7,10,16H2,1-3H3/t20-,21+,23-/m1/s1.
What are the key properties of (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane?
(4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane has a molecular weight of 380.55 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-4-phenyl-1,3-dioxane is sourced from PubChem (CID 11315020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).