2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine

C11H15NO3S2 — CID 664712

IUPAC2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(C)(=O)=O
InChIInChI=1S/C11H15NO3S2/c1-15-10-6-4-3-5-9(10)11-12(7-8-16-11)17(2,13)14/h3-6,11H,7-8H2,1-2H3
InChIKeyYUWVIPZRATXDHE-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.70
Rot. Bonds3

About 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine

2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine (PubChem CID 664712) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
PubChem CID664712
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(C)(=O)=O
InChIInChI=1S/C11H15NO3S2/c1-15-10-6-4-3-5-9(10)11-12(7-8-16-11)17(2,13)14/h3-6,11H,7-8H2,1-2H3
InChIKeyYUWVIPZRATXDHE-UHFFFAOYSA-N
XLogP1.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methoxyphenyl)-1,3-thiazolidine
CID 218556
2-(2,5-Dimethoxyphenyl)-3-(methylsulfonyl)-1,3-thiazolidine
CID 3151547
2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenesulfonyl)-thiazolidine
CID 646735
2-(5-Bromo-2-methoxyphenyl)-3-(methylsulfonyl)-1,3-thiazolidine
CID 661362
4-(2-Methoxybenzyl)thiomorpholine
CID 764944
2-(4-Methoxyphenyl)-1,3-thiazolan-3-yl phenyl sulfone
CID 2859306
(5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3232816
3-(Benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 4174260
N-butyl-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide
CID 44602031
2-(2-Methoxyphenyl)-1,3-thiazolidin-4-one
CID 3411758
2-(2-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-ol
CID 3068034
3-(4-Methoxy-benzenesulfonyl)-2-phenyl-thiazolidine
CID 648993

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine (CID 664712) is 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine is COc1ccccc1C1SCCN1S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
The InChIKey is YUWVIPZRATXDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-15-10-6-4-3-5-9(10)11-12(7-8-16-11)17(2,13)14/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine has a molecular weight of 273.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine is sourced from PubChem (CID 664712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).