2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol

C10H13NO3S2 — CID 13151050

IUPAC2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol
SMILESCS(=O)(=O)N1CCSC1c1ccccc1O
InChIInChI=1S/C10H13NO3S2/c1-16(13,14)11-6-7-15-10(11)8-4-2-3-5-9(8)12/h2-5,10,12H,6-7H2,1H3
InChIKeyXNXLEJWAXZDDHY-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.40
Rot. Bonds2

About 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol

2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol (PubChem CID 13151050) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol.

Molecular Properties

Compound Name2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol
PubChem CID13151050
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Name2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol
SMILESCS(=O)(=O)N1CCSC1c1ccccc1O
InChIInChI=1S/C10H13NO3S2/c1-16(13,14)11-6-7-15-10(11)8-4-2-3-5-9(8)12/h2-5,10,12H,6-7H2,1H3
InChIKeyXNXLEJWAXZDDHY-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol?
The IUPAC name of 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol (CID 13151050) is 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol.
What is the SMILES notation for 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol?
The canonical SMILES for 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol is CS(=O)(=O)N1CCSC1c1ccccc1O.
What is the InChIKey of 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol?
The InChIKey is XNXLEJWAXZDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-16(13,14)11-6-7-15-10(11)8-4-2-3-5-9(8)12/h2-5,10,12H,6-7H2,1H3.
What are the key properties of 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol?
2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol has a molecular weight of 259.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonyl-1,3-thiazolidin-2-yl)phenol is sourced from PubChem (CID 13151050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).