4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide

C15H20N2O2S — CID 63591050

IUPAC4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
SMILESCCC1COCCN1C(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H20N2O2S/c1-2-13-10-19-8-7-17(13)14(18)9-11-3-5-12(6-4-11)15(16)20/h3-6,13H,2,7-10H2,1H3,(H2,16,20)
InChIKeyHAPRCZHGIMPNIU-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.50
Rot. Bonds4

About 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide

4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide (PubChem CID 63591050) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide.

Molecular Properties

Compound Name4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
PubChem CID63591050
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
SMILESCCC1COCCN1C(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H20N2O2S/c1-2-13-10-19-8-7-17(13)14(18)9-11-3-5-12(6-4-11)15(16)20/h3-6,13H,2,7-10H2,1H3,(H2,16,20)
InChIKeyHAPRCZHGIMPNIU-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.50
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

4-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
CID 63589981
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
4-(3-ethylmorpholin-4-yl)benzenecarbothioamide
CID 43613424
4-[2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoethyl]benzenecarbothioamide
CID 63619801
1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 112537756
N'-hydroxy-4-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]benzenecarboximidamide
CID 77000982
1-[2-(4-carbamothioylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 63591025
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]benzenecarbothioamide
CID 63591217
2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
CID 103428878
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide?
The IUPAC name of 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide (CID 63591050) is 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide.
What is the SMILES notation for 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide?
The canonical SMILES for 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide is CCC1COCCN1C(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide?
The InChIKey is HAPRCZHGIMPNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-13-10-19-8-7-17(13)14(18)9-11-3-5-12(6-4-11)15(16)20/h3-6,13H,2,7-10H2,1H3,(H2,16,20).
What are the key properties of 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide?
4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide has a molecular weight of 292.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide is sourced from PubChem (CID 63591050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).