2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol

C14H15NO2S — CID 99642357

IUPAC2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol
SMILESCc1ccc(C)c(C[S@@](=O)c2ncccc2O)c1
InChIInChI=1S/C14H15NO2S/c1-10-5-6-11(2)12(8-10)9-18(17)14-13(16)4-3-7-15-14/h3-8,16H,9H2,1-2H3/t18-/m1/s1
InChIKeyZENVPOCCRCANCS-GOSISDBHSA-N
MW261.35 g/mol
LogP2.71
Rot. Bonds3

About 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol

2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol (PubChem CID 99642357) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol
PubChem CID99642357
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol
SMILESCc1ccc(C)c(C[S@@](=O)c2ncccc2O)c1
InChIInChI=1S/C14H15NO2S/c1-10-5-6-11(2)12(8-10)9-18(17)14-13(16)4-3-7-15-14/h3-8,16H,9H2,1-2H3/t18-/m1/s1
InChIKeyZENVPOCCRCANCS-GOSISDBHSA-N
XLogP2.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol 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 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol?
The IUPAC name of 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol (CID 99642357) is 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol.
What is the SMILES notation for 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol?
The canonical SMILES for 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol is Cc1ccc(C)c(C[S@@](=O)c2ncccc2O)c1.
What is the InChIKey of 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol?
The InChIKey is ZENVPOCCRCANCS-GOSISDBHSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-5-6-11(2)12(8-10)9-18(17)14-13(16)4-3-7-15-14/h3-8,16H,9H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol?
2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol has a molecular weight of 261.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol is sourced from PubChem (CID 99642357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).