[2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone

C14H20N2O3S — CID 58440447

IUPAC[2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone
SMILESC=S(N)(=O)c1ccc(CC)cc1C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3S/c1-3-11-4-5-13(20(2,15)18)12(10-11)14(17)16-6-8-19-9-7-16/h4-5,10H,2-3,6-9H2,1H3,(H2,15,18)
InChIKeyFBLYLKLXSVUZKV-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.67
Rot. Bonds3

About [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone

[2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone (PubChem CID 58440447) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone
PubChem CID58440447
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone
SMILESC=S(N)(=O)c1ccc(CC)cc1C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3S/c1-3-11-4-5-13(20(2,15)18)12(10-11)14(17)16-6-8-19-9-7-16/h4-5,10H,2-3,6-9H2,1H3,(H2,15,18)
InChIKeyFBLYLKLXSVUZKV-UHFFFAOYSA-N
XLogP0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
2,5-dichloro-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375063
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(4-ethylphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699890
(2,2-diethyl-1,3,6,2-dioxazasilocan-6-yl)-[2,4,5-tris(2,2-diethyl-1,3,6,2-dioxazasilocane-6-carbonyl)phenyl]methanone
CID 160528749
4-ethyl-2-sulfamoylbenzoic acid
CID 174396253
2-[3-(morpholine-4-carbonyl)-4-phenylphenyl]acetamide
CID 69084346
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 33400694

Frequently Asked Questions

What is the IUPAC name of [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone (CID 58440447) is [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone is C=S(N)(=O)c1ccc(CC)cc1C(=O)N1CCOCC1.
What is the InChIKey of [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone?
The InChIKey is FBLYLKLXSVUZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-11-4-5-13(20(2,15)18)12(10-11)14(17)16-6-8-19-9-7-16/h4-5,10H,2-3,6-9H2,1H3,(H2,15,18).
What are the key properties of [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone?
[2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone has a molecular weight of 296.39 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(amino-methylidene-oxo-λ6-sulfanyl)-5-ethylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58440447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).