(2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone

C9H16N2OS2 — CID 119318083

IUPAC(2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
SMILESCC1CN(C(=O)[C@H]2CSCN2)CCS1
InChIInChI=1S/C9H16N2OS2/c1-7-4-11(2-3-14-7)9(12)8-5-13-6-10-8/h7-8,10H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyJJNBQYFGOXBMSK-BRFYHDHCSA-N
MW232.37 g/mol
LogP0.61
Rot. Bonds1

About (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone

(2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone (PubChem CID 119318083) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
PubChem CID119318083
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name(2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
SMILESCC1CN(C(=O)[C@H]2CSCN2)CCS1
InChIInChI=1S/C9H16N2OS2/c1-7-4-11(2-3-14-7)9(12)8-5-13-6-10-8/h7-8,10H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyJJNBQYFGOXBMSK-BRFYHDHCSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119276152
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119276151
[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 63166761
1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310155
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119958530
(3,3-dimethylpyrrolidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322655
[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119322366
[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322524
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
[2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322360
(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119275333

Frequently Asked Questions

What is the IUPAC name of (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone (CID 119318083) is (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone is CC1CN(C(=O)[C@H]2CSCN2)CCS1.
What is the InChIKey of (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is JJNBQYFGOXBMSK-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-7-4-11(2-3-14-7)9(12)8-5-13-6-10-8/h7-8,10H,2-6H2,1H3/t7?,8-/m1/s1.
What are the key properties of (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone?
(2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 232.37 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 119318083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).