ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate

C11H21NO2S — CID 71371906

IUPACethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC1NC(C(=O)OCC)CS1
InChIInChI=1S/C11H21NO2S/c1-3-5-6-7-10-12-9(8-15-10)11(13)14-4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyVKKQYHSIEIUSBM-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.16
Rot. Bonds6

About ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate

ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate (PubChem CID 71371906) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
PubChem CID71371906
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC1NC(C(=O)OCC)CS1
InChIInChI=1S/C11H21NO2S/c1-3-5-6-7-10-12-9(8-15-10)11(13)14-4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyVKKQYHSIEIUSBM-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
2-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 101131834
propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42744271
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate
CID 177001709
4-methyl-2-pentyl-1,3-thiazolidine
CID 66219394
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 57312911
(4R)-2-[(octadecylamino)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 146279061

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate (CID 71371906) is ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate is CCCCCC1NC(C(=O)OCC)CS1.
What is the InChIKey of ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is VKKQYHSIEIUSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-5-6-7-10-12-9(8-15-10)11(13)14-4-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate?
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 231.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 71371906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).