methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

C9H17NO2S — CID 20614726

IUPACmethyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCCC1NC(C(=O)OC)C(C)(C)S1
InChIInChI=1S/C9H17NO2S/c1-5-6-10-7(8(11)12-4)9(2,3)13-6/h6-7,10H,5H2,1-4H3
InChIKeyMPSOOQPJZWUNEX-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.38
Rot. Bonds2

About methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 20614726) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID20614726
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namemethyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCCC1NC(C(=O)OC)C(C)(C)S1
InChIInChI=1S/C9H17NO2S/c1-5-6-10-7(8(11)12-4)9(2,3)13-6/h6-7,10H,5H2,1-4H3
InChIKeyMPSOOQPJZWUNEX-UHFFFAOYSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Related Compounds

(2S,4S)-2-methoxycarbonyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 130765423
5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 110192231
2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 71323545
methyl (2S,3S)-3-propan-2-yl-3-propylaziridine-2-carboxylate
CID 101199381
methyl 3,3-dimethylpyrrolidine-2-carboxylate
CID 75088961
methyl 3,3,5-trihydroxy-4-methylpyrrolidine-2-carboxylate
CID 156837535
methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 101131834
dimethyl (2R,3R,5S,6R)-2,6-dimethyl-4-oxopiperidine-3,5-dicarboxylate
CID 124925345
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
methyl 3-propylcyclobutane-1-carboxylate
CID 97034582
methyl (2R,3S)-3-propylaziridine-2-carboxylate
CID 15249125
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (CID 20614726) is methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is CCC1NC(C(=O)OC)C(C)(C)S1.
What is the InChIKey of methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is MPSOOQPJZWUNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-5-6-10-7(8(11)12-4)9(2,3)13-6/h6-7,10H,5H2,1-4H3.
What are the key properties of methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 203.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 20614726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).