2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate

C10H17NO2S — CID 4073529

IUPAC2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC(C2CCCCC2)[NH2+]1
InChIInChI=1S/C10H17NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyNGEBHQSOFHCRQW-UHFFFAOYSA-N
MW215.32 g/mol
LogP-0.68
Rot. Bonds2

About 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate

2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate (PubChem CID 4073529) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate.

Molecular Properties

Compound Name2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate
PubChem CID4073529
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])C1CSC(C2CCCCC2)[NH2+]1
InChIInChI=1S/C10H17NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyNGEBHQSOFHCRQW-UHFFFAOYSA-N
XLogP-0.68
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate?
The IUPAC name of 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate (CID 4073529) is 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate.
What is the SMILES notation for 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate?
The canonical SMILES for 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate is O=C([O-])C1CSC(C2CCCCC2)[NH2+]1.
What is the InChIKey of 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate?
The InChIKey is NGEBHQSOFHCRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate?
2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate has a molecular weight of 215.32 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-thiazolidin-3-ium-4-carboxylate is sourced from PubChem (CID 4073529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).