methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

C14H17NO3S — CID 134882899

IUPACmethyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)N1[C@H](C(=O)c2ccccc2)CSC1(C)C
InChIInChI=1S/C14H17NO3S/c1-14(2)15(13(17)18-3)11(9-19-14)12(16)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyBDDPGNYDFYLMNG-NSHDSACASA-N
MW279.36 g/mol
LogP2.79
Rot. Bonds2

About methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (PubChem CID 134882899) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
PubChem CID134882899
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Namemethyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)N1[C@H](C(=O)c2ccccc2)CSC1(C)C
InChIInChI=1S/C14H17NO3S/c1-14(2)15(13(17)18-3)11(9-19-14)12(16)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyBDDPGNYDFYLMNG-NSHDSACASA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (CID 134882899) is methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is COC(=O)N1[C@H](C(=O)c2ccccc2)CSC1(C)C.
What is the InChIKey of methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is BDDPGNYDFYLMNG-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO3S/c1-14(2)15(13(17)18-3)11(9-19-14)12(16)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-benzoyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 134882899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).