methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate

C11H21NO2S — CID 10775898

IUPACmethyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate
SMILESCOC(=O)[C@H]1SC(C)(C)N[C@H]1CC(C)C
InChIInChI=1S/C11H21NO2S/c1-7(2)6-8-9(10(13)14-5)15-11(3,4)12-8/h7-9,12H,6H2,1-5H3/t8-,9-/m0/s1
InChIKeySDJLPTZJBRXGPK-IUCAKERBSA-N
MW231.36 g/mol
LogP2.02
Rot. Bonds3

About methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate

methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate (PubChem CID 10775898) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate
PubChem CID10775898
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namemethyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate
SMILESCOC(=O)[C@H]1SC(C)(C)N[C@H]1CC(C)C
InChIInChI=1S/C11H21NO2S/c1-7(2)6-8-9(10(13)14-5)15-11(3,4)12-8/h7-9,12H,6H2,1-5H3/t8-,9-/m0/s1
InChIKeySDJLPTZJBRXGPK-IUCAKERBSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate?
The IUPAC name of methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate (CID 10775898) is methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate.
What is the SMILES notation for methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate?
The canonical SMILES for methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate is COC(=O)[C@H]1SC(C)(C)N[C@H]1CC(C)C.
What is the InChIKey of methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate?
The InChIKey is SDJLPTZJBRXGPK-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-7(2)6-8-9(10(13)14-5)15-11(3,4)12-8/h7-9,12H,6H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate?
methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate has a molecular weight of 231.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-thiazolidine-5-carboxylate is sourced from PubChem (CID 10775898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).