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

C10H17NO4S — CID 63042627

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-3-1-4-9(7-8)11-5-2-6-16(11,14)15/h8-9H,1-7H2,(H,12,13)
InChIKeyLKTARINWQIVYBO-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.67
Rot. Bonds2

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

3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 63042627) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
PubChem CID63042627
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-3-1-4-9(7-8)11-5-2-6-16(11,14)15/h8-9H,1-7H2,(H,12,13)
InChIKeyLKTARINWQIVYBO-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 79580516
2-(1,1-dioxothiazinan-2-yl)cyclopentane-1-carboxylic acid
CID 83825294
3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 70920708
3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]carbamic acid
CID 139369242
4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
CID 146082093
(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 70920669
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine
CID 61349589
3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid
CID 79694969
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid
CID 66240870
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid (CID 63042627) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(N2CCCS2(=O)=O)C1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is LKTARINWQIVYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)8-3-1-4-9(7-8)11-5-2-6-16(11,14)15/h8-9H,1-7H2,(H,12,13).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).