4-(2-aminoethyl)thiomorpholine-3,5-dione

C6H10N2O2S — CID 104570964

IUPAC4-(2-aminoethyl)thiomorpholine-3,5-dione
SMILESNCCN1C(=O)CSCC1=O
InChIInChI=1S/C6H10N2O2S/c7-1-2-8-5(9)3-11-4-6(8)10/h1-4,7H2
InChIKeyYNHMSVWEYWJRHD-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.95
Rot. Bonds2

About 4-(2-aminoethyl)thiomorpholine-3,5-dione

4-(2-aminoethyl)thiomorpholine-3,5-dione (PubChem CID 104570964) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(2-aminoethyl)thiomorpholine-3,5-dione
PubChem CID104570964
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name4-(2-aminoethyl)thiomorpholine-3,5-dione
SMILESNCCN1C(=O)CSCC1=O
InChIInChI=1S/C6H10N2O2S/c7-1-2-8-5(9)3-11-4-6(8)10/h1-4,7H2
InChIKeyYNHMSVWEYWJRHD-UHFFFAOYSA-N
XLogP-0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.95
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

4-[2-(methylamino)ethyl]thiomorpholine-3,5-dione
CID 104570982
4-(2-aminoethyl)-1,4-benzothiazin-3-one
CID 29021484
1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one
CID 82505874
4-(1-amino-3-methylbutan-2-yl)thiomorpholine-3,5-dione
CID 104571018
1-(3-aminopropyl)azepane-2,7-dione
CID 43447536
4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one
CID 115195267
1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane
CID 142439649
4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
CID 113427947
1-(4-aminobutyl)piperidine-2,6-dione
CID 43447549
2-(2-aminoethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 84658476
3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione
CID 126990912
1-[(3,5-dioxothiomorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 104570524

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(2-aminoethyl)thiomorpholine-3,5-dione (CID 104570964) is 4-(2-aminoethyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(2-aminoethyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(2-aminoethyl)thiomorpholine-3,5-dione is NCCN1C(=O)CSCC1=O.
What is the InChIKey of 4-(2-aminoethyl)thiomorpholine-3,5-dione?
The InChIKey is YNHMSVWEYWJRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-1-2-8-5(9)3-11-4-6(8)10/h1-4,7H2.
What are the key properties of 4-(2-aminoethyl)thiomorpholine-3,5-dione?
4-(2-aminoethyl)thiomorpholine-3,5-dione has a molecular weight of 174.22 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 104570964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).