4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione

C9H13NO3S — CID 104570913

IUPAC4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1CC(O)C1CC1
InChIInChI=1S/C9H13NO3S/c11-7(6-1-2-6)3-10-8(12)4-14-5-9(10)13/h6-7,11H,1-5H2
InChIKeyXKRARDITKVLYGD-UHFFFAOYSA-N
MW215.27 g/mol
LogP-0.14
Rot. Bonds3

About 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione

4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione (PubChem CID 104570913) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione
PubChem CID104570913
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1CC(O)C1CC1
InChIInChI=1S/C9H13NO3S/c11-7(6-1-2-6)3-10-8(12)4-14-5-9(10)13/h6-7,11H,1-5H2
InChIKeyXKRARDITKVLYGD-UHFFFAOYSA-N
XLogP-0.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione
CID 63296638
1-(2-cyclopropyl-2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione
CID 63296457
4-(2-cyclopentyl-2-hydroxyethyl)morpholine-3,5-dione
CID 104753189
4-(4-hydroxy-2-methylbutyl)thiomorpholine-3,5-dione
CID 104570934
3-(2-cyclopentyl-2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104753293
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 63295069
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 104753310
4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
CID 113427947
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333
4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione
CID 104570938
4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione
CID 104570982
4-(2-aminoethyl)thiomorpholine-3,5-dione
CID 104570964

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione (CID 104570913) is 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione is O=C1CSCC(=O)N1CC(O)C1CC1.
What is the InChIKey of 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione?
The InChIKey is XKRARDITKVLYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c11-7(6-1-2-6)3-10-8(12)4-14-5-9(10)13/h6-7,11H,1-5H2.
What are the key properties of 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione?
4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione has a molecular weight of 215.27 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-2-hydroxyethyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 104570913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).