2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol

C10H13NO3S — CID 142614209

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol
SMILESCc1ccc(N2CCCS2(=O)=O)c(O)c1
InChIInChI=1S/C10H13NO3S/c1-8-3-4-9(10(12)7-8)11-5-2-6-15(11,13)14/h3-4,7,12H,2,5-6H2,1H3
InChIKeyRTOFOSSPQYIVAX-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.24
Rot. Bonds1

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol (PubChem CID 142614209) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol
PubChem CID142614209
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol
SMILESCc1ccc(N2CCCS2(=O)=O)c(O)c1
InChIInChI=1S/C10H13NO3S/c1-8-3-4-9(10(12)7-8)11-5-2-6-15(11,13)14/h3-4,7,12H,2,5-6H2,1H3
InChIKeyRTOFOSSPQYIVAX-UHFFFAOYSA-N
XLogP1.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
CID 82084355
2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide
CID 82094857
3-[2-(1,1-dioxothiazinan-2-yl)-5-methylphenyl]prop-2-yn-1-ol
CID 116816620
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 18109023
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline
CID 16642516
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]methanone
CID 71252235
4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoic acid
CID 16642520
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol
CID 104549320
2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 28939241
4-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbenzoyl]amino]methyl]benzoic acid
CID 119353404

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol (CID 142614209) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol is Cc1ccc(N2CCCS2(=O)=O)c(O)c1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol?
The InChIKey is RTOFOSSPQYIVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-3-4-9(10(12)7-8)11-5-2-6-15(11,13)14/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol has a molecular weight of 227.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol is sourced from PubChem (CID 142614209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).