3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine

C10H12FNO2S2 — CID 122332182

IUPAC3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCSC1
InChIInChI=1S/C10H12FNO2S2/c11-10-3-1-9(2-4-10)7-16(13,14)12-5-6-15-8-12/h1-4H,5-8H2
InChIKeySRPSDTZIBWKOTN-UHFFFAOYSA-N
MW261.34 g/mol
LogP1.66
Rot. Bonds3

About 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine

3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine (PubChem CID 122332182) has the molecular formula C10H12FNO2S2 and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine
PubChem CID122332182
Molecular FormulaC10H12FNO2S2
Molecular Weight261.34 g/mol
Exact Mass261.03
IUPAC Name3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCSC1
InChIInChI=1S/C10H12FNO2S2/c11-10-3-1-9(2-4-10)7-16(13,14)12-5-6-15-8-12/h1-4H,5-8H2
InChIKeySRPSDTZIBWKOTN-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine (CID 122332182) is 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine is O=S(=O)(Cc1ccc(F)cc1)N1CCSC1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine?
The InChIKey is SRPSDTZIBWKOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S2/c11-10-3-1-9(2-4-10)7-16(13,14)12-5-6-15-8-12/h1-4H,5-8H2.
What are the key properties of 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine?
3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine has a molecular weight of 261.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfonyl]-1,3-thiazolidine is sourced from PubChem (CID 122332182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).