(4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione

C14H19NOS — CID 140552835

IUPAC(4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione
SMILESCCN1CCOC(C(=S)c2ccccc2C)C1
InChIInChI=1S/C14H19NOS/c1-3-15-8-9-16-13(10-15)14(17)12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyHTGGURDDLVFNCU-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.43
Rot. Bonds3

About (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione

(4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione (PubChem CID 140552835) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione
PubChem CID140552835
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione
SMILESCCN1CCOC(C(=S)c2ccccc2C)C1
InChIInChI=1S/C14H19NOS/c1-3-15-8-9-16-13(10-15)14(17)12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyHTGGURDDLVFNCU-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666423
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306
(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79667186
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
4-ethylmorpholine-2-carboxylate
CID 127053688
(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79666580
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
CID 114399817
ethane;4-ethyl-2-prop-1-en-2-ylmorpholine
CID 177135934
2,4-diethylmorpholine
CID 58988021
N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide
CID 120885712
2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 79667003
(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 79705374

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione?
The IUPAC name of (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione (CID 140552835) is (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione.
What is the SMILES notation for (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione?
The canonical SMILES for (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione is CCN1CCOC(C(=S)c2ccccc2C)C1.
What is the InChIKey of (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione?
The InChIKey is HTGGURDDLVFNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-3-15-8-9-16-13(10-15)14(17)12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione?
(4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione has a molecular weight of 249.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)-(2-methylphenyl)methanethione is sourced from PubChem (CID 140552835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).