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

C9H17NO2S — CID 97184090

IUPACmethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
SMILESCCC1(CC)N[C@H](C(=O)OC)CS1
InChIInChI=1S/C9H17NO2S/c1-4-9(5-2)10-7(6-13-9)8(11)12-3/h7,10H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyBXJGORNNSOSJRR-ZETCQYMHSA-N
MW203.31 g/mol
LogP1.38
Rot. Bonds3

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

methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 97184090) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
PubChem CID97184090
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namemethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
SMILESCCC1(CC)N[C@H](C(=O)OC)CS1
InChIInChI=1S/C9H17NO2S/c1-4-9(5-2)10-7(6-13-9)8(11)12-3/h7,10H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyBXJGORNNSOSJRR-ZETCQYMHSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate (CID 97184090) is methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate is CCC1(CC)N[C@H](C(=O)OC)CS1.
What is the InChIKey of methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is BXJGORNNSOSJRR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-4-9(5-2)10-7(6-13-9)8(11)12-3/h7,10H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 203.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 97184090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).