propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

C11H21NO2S — CID 42744271

IUPACpropyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(CC(C)C)N1
InChIInChI=1S/C11H21NO2S/c1-4-5-14-11(13)9-7-15-10(12-9)6-8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyONBMGTIGQKAGBT-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.02
Rot. Bonds5

About propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42744271) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42744271
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namepropyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(CC(C)C)N1
InChIInChI=1S/C11H21NO2S/c1-4-5-14-11(13)9-7-15-10(12-9)6-8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyONBMGTIGQKAGBT-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

methyl (2R,4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 101131848
ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate
CID 177001709
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906
methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 101131834
4-ethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 66230749
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
4-methyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 66218897
2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 67763027
propyl piperidine-2-carboxylate
CID 43248024
(4R)-2-[(octadecylamino)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 146279061
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
propyl 3-(2-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745536

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate (CID 42744271) is propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1CSC(CC(C)C)N1.
What is the InChIKey of propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is ONBMGTIGQKAGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-5-14-11(13)9-7-15-10(12-9)6-8(2)3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate?
propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 231.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42744271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).