4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one

C8H14N4O2S — CID 62897666

IUPAC4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
SMILESO=c1[nH][nH]c(=S)n1CCN1CCOCC1
InChIInChI=1S/C8H14N4O2S/c13-7-9-10-8(15)12(7)2-1-11-3-5-14-6-4-11/h1-6H2,(H,9,13)(H,10,15)
InChIKeyJOOASFVYKZIWFR-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.43
Rot. Bonds3

About 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one

4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one (PubChem CID 62897666) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
PubChem CID62897666
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
SMILESO=c1[nH][nH]c(=S)n1CCN1CCOCC1
InChIInChI=1S/C8H14N4O2S/c13-7-9-10-8(15)12(7)2-1-11-3-5-14-6-4-11/h1-6H2,(H,9,13)(H,10,15)
InChIKeyJOOASFVYKZIWFR-UHFFFAOYSA-N
XLogP-0.43
TPSA66.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
6-fluoro-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 5228098
8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 66485145
3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione
CID 15475916
5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 117224730
4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione
CID 81335287
5-fluoro-3-(2-morpholin-4-ylethyl)-1H-benzimidazole-2-thione
CID 55067546
(3aR,6aS)-5-(2-morpholin-4-ylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 46201661
4-propylmorpholine;hydrobromide
CID 70540609
3-(4-chlorophenyl)-4-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-thione
CID 56696930
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
1-(3-morpholin-4-ylpropyl)piperazin-2-one
CID 57445037

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one?
The IUPAC name of 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one (CID 62897666) is 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one.
What is the SMILES notation for 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one?
The canonical SMILES for 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one is O=c1[nH][nH]c(=S)n1CCN1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one?
The InChIKey is JOOASFVYKZIWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c13-7-9-10-8(15)12(7)2-1-11-3-5-14-6-4-11/h1-6H2,(H,9,13)(H,10,15).
What are the key properties of 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one?
4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one has a molecular weight of 230.29 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one is sourced from PubChem (CID 62897666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).