1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

C13H19NO4S — CID 86642739

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
SMILESO=C(O)C12CC3CC1CC(N1CCCS1(=O)=O)(C3)C2
InChIInChI=1S/C13H19NO4S/c15-11(16)13-6-9-4-10(13)7-12(5-9,8-13)14-2-1-3-19(14,17)18/h9-10H,1-8H2,(H,15,16)
InChIKeyUBUCUTIEQPXKHQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.06
Rot. Bonds2

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid (PubChem CID 86642739) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
PubChem CID86642739
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
SMILESO=C(O)C12CC3CC1CC(N1CCCS1(=O)=O)(C3)C2
InChIInChI=1S/C13H19NO4S/c15-11(16)13-6-9-4-10(13)7-12(5-9,8-13)14-2-1-3-19(14,17)18/h9-10H,1-8H2,(H,15,16)
InChIKeyUBUCUTIEQPXKHQ-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid (CID 86642739) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid is O=C(O)C12CC3CC1CC(N1CCCS1(=O)=O)(C3)C2.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The InChIKey is UBUCUTIEQPXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c15-11(16)13-6-9-4-10(13)7-12(5-9,8-13)14-2-1-3-19(14,17)18/h9-10H,1-8H2,(H,15,16).
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid has a molecular weight of 285.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid is sourced from PubChem (CID 86642739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).