4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione

C7H11NO3S — CID 104570938

IUPAC4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione
SMILESC[C@H](CO)N1C(=O)CSCC1=O
InChIInChI=1S/C7H11NO3S/c1-5(2-9)8-6(10)3-12-4-7(8)11/h5,9H,2-4H2,1H3/t5-/m1/s1
InChIKeyXQCDAFVRDXZJFW-RXMQYKEDSA-N
MW189.24 g/mol
LogP-0.53
Rot. Bonds2

About 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione

4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione (PubChem CID 104570938) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione
PubChem CID104570938
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione
SMILESC[C@H](CO)N1C(=O)CSCC1=O
InChIInChI=1S/C7H11NO3S/c1-5(2-9)8-6(10)3-12-4-7(8)11/h5,9H,2-4H2,1H3/t5-/m1/s1
InChIKeyXQCDAFVRDXZJFW-RXMQYKEDSA-N
XLogP-0.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione 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

3-(3,5-dioxothiomorpholin-4-yl)butanenitrile
CID 104570637
4-(1-amino-3-methylbutan-2-yl)thiomorpholine-3,5-dione
CID 104571018
4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione
CID 104570934
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione
CID 104570912
1-(1-hydroxypropan-2-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61208884
3-[(2S)-1-hydroxypropan-2-yl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552317
2-(3,5-dioxothiomorpholin-4-yl)hexanoic acid
CID 104570388
2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
CID 79028131
4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione
CID 104570913
3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86262726
N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 115869532

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione?
The IUPAC name of 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione (CID 104570938) is 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione.
What is the SMILES notation for 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione?
The canonical SMILES for 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione is C[C@H](CO)N1C(=O)CSCC1=O.
What is the InChIKey of 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione?
The InChIKey is XQCDAFVRDXZJFW-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-5(2-9)8-6(10)3-12-4-7(8)11/h5,9H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione?
4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione has a molecular weight of 189.24 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione is sourced from PubChem (CID 104570938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).