(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

C10H16N2O3S2 — CID 66421279

IUPAC(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CC1CSCCN1
InChIInChI=1S/C10H16N2O3S2/c13-9(3-7-4-16-2-1-11-7)12-6-17-5-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t7?,8-/m0/s1
InChIKeySXUWSPUBOMEYOX-MQWKRIRWSA-N
MW276.38 g/mol
LogP0.07
Rot. Bonds3

About (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66421279) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID66421279
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CC1CSCCN1
InChIInChI=1S/C10H16N2O3S2/c13-9(3-7-4-16-2-1-11-7)12-6-17-5-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t7?,8-/m0/s1
InChIKeySXUWSPUBOMEYOX-MQWKRIRWSA-N
XLogP0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid
CID 114429640
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82904512
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119936904
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66420023
3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
CID 66421309
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
1-(2-methyl-3-phenylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119940002

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 66421279) is (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)CC1CSCCN1.
What is the InChIKey of (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SXUWSPUBOMEYOX-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c13-9(3-7-4-16-2-1-11-7)12-6-17-5-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66421279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).