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

C10H19NO2S — CID 20614748

IUPACmethyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCC1NC(C(=O)OC)C(C)(C)S1
InChIInChI=1S/C10H19NO2S/c1-5-6-7-11-8(9(12)13-4)10(2,3)14-7/h7-8,11H,5-6H2,1-4H3
InChIKeyDCPZYHRLDXAWEQ-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.77
Rot. Bonds3

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

methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate (PubChem CID 20614748) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate
PubChem CID20614748
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCC1NC(C(=O)OC)C(C)(C)S1
InChIInChI=1S/C10H19NO2S/c1-5-6-7-11-8(9(12)13-4)10(2,3)14-7/h7-8,11H,5-6H2,1-4H3
InChIKeyDCPZYHRLDXAWEQ-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 45082403
(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295725
2-Isopropyl-5,5-dimethylthiazolidine-4-carboxylic acid
CID 98398
(4S)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 2725071
Methyl 2-methyl-1,3-thiazolidine-4-carboxylate
CID 14377868
2,5,5-Trimethylthiazolidine-4-carboxylic acid
CID 189933
ethyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 11651510
methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate hydrochloride
CID 146155229
(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295724
(2S,4R)-2-methoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 172442491
4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(1-methylethyl)-, hydrochloride (1:1)
CID 3014730
methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate
CID 18345630

Frequently Asked Questions

What is the IUPAC name of methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate (CID 20614748) is methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate is CCCC1NC(C(=O)OC)C(C)(C)S1.
What is the InChIKey of methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is DCPZYHRLDXAWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-5-6-7-11-8(9(12)13-4)10(2,3)14-7/h7-8,11H,5-6H2,1-4H3.
What are the key properties of methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate?
methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 217.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-dimethyl-2-propyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 20614748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).