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

C11H21NO2S — CID 11390619

IUPACpropan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
SMILESCCC1(CC)N[C@H](C(=O)OC(C)C)CS1
InChIInChI=1S/C11H21NO2S/c1-5-11(6-2)12-9(7-15-11)10(13)14-8(3)4/h8-9,12H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyBZMPAIHWEFULON-VIFPVBQESA-N
MW231.36 g/mol
LogP2.16
Rot. Bonds4

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

propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 11390619) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
PubChem CID11390619
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namepropan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
SMILESCCC1(CC)N[C@H](C(=O)OC(C)C)CS1
InChIInChI=1S/C11H21NO2S/c1-5-11(6-2)12-9(7-15-11)10(13)14-8(3)4/h8-9,12H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyBZMPAIHWEFULON-VIFPVBQESA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate (CID 11390619) is propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate is CCC1(CC)N[C@H](C(=O)OC(C)C)CS1.
What is the InChIKey of propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is BZMPAIHWEFULON-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO2S/c1-5-11(6-2)12-9(7-15-11)10(13)14-8(3)4/h8-9,12H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 231.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 11390619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).