3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid

C11H19NO4S — CID 79580516

IUPAC3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1CN(C2CCCC(C(=O)O)C2)S(=O)(=O)C1
InChIInChI=1S/C11H19NO4S/c1-8-6-12(17(15,16)7-8)10-4-2-3-9(5-10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyYOQMQPFFLUHVJN-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.91
Rot. Bonds2

About 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid

3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 79580516) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
PubChem CID79580516
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1CN(C2CCCC(C(=O)O)C2)S(=O)(=O)C1
InChIInChI=1S/C11H19NO4S/c1-8-6-12(17(15,16)7-8)10-4-2-3-9(5-10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyYOQMQPFFLUHVJN-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 63042627
3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 70920708
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol
CID 131043202
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 103499629
1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid
CID 107430456
1-(3-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690108
2-(3,3-dimethylcyclopentyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 128881850
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 98112266
3-(3,3-dimethoxyazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695707

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid (CID 79580516) is 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid is CC1CN(C2CCCC(C(=O)O)C2)S(=O)(=O)C1.
What is the InChIKey of 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is YOQMQPFFLUHVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-8-6-12(17(15,16)7-8)10-4-2-3-9(5-10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79580516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).