(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate

C15H23NO3S — CID 112723698

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
SMILESCC1(C)C2CCC1(C)C(OC(=O)CN1CSCC1=O)C2
InChIInChI=1S/C15H23NO3S/c1-14(2)10-4-5-15(14,3)11(6-10)19-13(18)7-16-9-20-8-12(16)17/h10-11H,4-9H2,1-3H3
InChIKeyIVMGYGRIXMVPQT-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.28
Rot. Bonds3

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate (PubChem CID 112723698) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
PubChem CID112723698
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
SMILESCC1(C)C2CCC1(C)C(OC(=O)CN1CSCC1=O)C2
InChIInChI=1S/C15H23NO3S/c1-14(2)10-4-5-15(14,3)11(6-10)19-13(18)7-16-9-20-8-12(16)17/h10-11H,4-9H2,1-3H3
InChIKeyIVMGYGRIXMVPQT-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate (CID 112723698) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate is CC1(C)C2CCC1(C)C(OC(=O)CN1CSCC1=O)C2.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The InChIKey is IVMGYGRIXMVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-14(2)10-4-5-15(14,3)11(6-10)19-13(18)7-16-9-20-8-12(16)17/h10-11H,4-9H2,1-3H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate has a molecular weight of 297.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(4-oxo-1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 112723698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).