2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride

C14H21ClN2OS — CID 119791744

IUPAC2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride
SMILESCCC1CN(C(=O)Cc2ccc(N)cc2)CCS1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-2-13-10-16(7-8-18-13)14(17)9-11-3-5-12(15)6-4-11;/h3-6,13H,2,7-10,15H2,1H3;1H
InChIKeyYMWDXFDDRBTZAD-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.59
Rot. Bonds3

About 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride

2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride (PubChem CID 119791744) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride
PubChem CID119791744
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride
SMILESCCC1CN(C(=O)Cc2ccc(N)cc2)CCS1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-2-13-10-16(7-8-18-13)14(17)9-11-3-5-12(15)6-4-11;/h3-6,13H,2,7-10,15H2,1H3;1H
InChIKeyYMWDXFDDRBTZAD-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-ethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923875
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
(3-aminophenyl)-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791768
3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
CID 115734525
2-(4-aminophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 122080587
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
1-[2-(4-aminophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030537
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
2-(4-aminophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79174351
2-(4-aminophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64568201
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 103530140

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride (CID 119791744) is 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride is CCC1CN(C(=O)Cc2ccc(N)cc2)CCS1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride?
The InChIKey is YMWDXFDDRBTZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-2-13-10-16(7-8-18-13)14(17)9-11-3-5-12(15)6-4-11;/h3-6,13H,2,7-10,15H2,1H3;1H.
What are the key properties of 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride?
2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(2-ethylthiomorpholin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 119791744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).