2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone

C14H20N2OS — CID 113267007

IUPAC2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone
SMILESCC1(C)CN(C(=O)CNc2ccccc2)CCS1
InChIInChI=1S/C14H20N2OS/c1-14(2)11-16(8-9-18-14)13(17)10-15-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3
InChIKeyPYAWDFKGUNSTGI-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.45
Rot. Bonds3

About 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone

2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone (PubChem CID 113267007) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone
PubChem CID113267007
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone
SMILESCC1(C)CN(C(=O)CNc2ccccc2)CCS1
InChIInChI=1S/C14H20N2OS/c1-14(2)11-16(8-9-18-14)13(17)10-15-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3
InChIKeyPYAWDFKGUNSTGI-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734687
4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
CID 115740223
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
CID 119768979
4-(2-anilinoacetyl)piperazine-2,6-dione
CID 66084598
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027723
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
CID 119794892
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone (CID 113267007) is 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone is CC1(C)CN(C(=O)CNc2ccccc2)CCS1.
What is the InChIKey of 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone?
The InChIKey is PYAWDFKGUNSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2)11-16(8-9-18-14)13(17)10-15-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3.
What are the key properties of 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone?
2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone has a molecular weight of 264.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 113267007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).