(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone

C14H19FN2OS — CID 97199367

IUPAC(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone
SMILESCN(C)[C@@H](C(=O)N1CCSCC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2OS/c1-16(2)13(11-4-3-5-12(15)10-11)14(18)17-6-8-19-9-7-17/h3-5,10,13H,6-9H2,1-2H3/t13-/m1/s1
InChIKeyFBRLBDXYQJNVSW-CYBMUJFWSA-N
MW282.38 g/mol
LogP2.00
Rot. Bonds3

About (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone

(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone (PubChem CID 97199367) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone
PubChem CID97199367
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone
SMILESCN(C)[C@@H](C(=O)N1CCSCC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2OS/c1-16(2)13(11-4-3-5-12(15)10-11)14(18)17-6-8-19-9-7-17/h3-5,10,13H,6-9H2,1-2H3/t13-/m1/s1
InChIKeyFBRLBDXYQJNVSW-CYBMUJFWSA-N
XLogP2.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-difluoropiperidin-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 72898908
(2S)-1-(4-acetyl-1,4-diazepan-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 97193247
ethyl 4-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 97189636
1-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperidine-4-carbonitrile
CID 97205777
2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 72869087
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 97153427
2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 72933969
2-(dimethylamino)-1-[4-(ethoxymethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 72894693
2-(3-fluorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide
CID 75373555
(2S)-2-(3-fluorophenyl)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]propanamide
CID 97216869
(3R)-3-(3-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]butanamide
CID 97214139
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 97198728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone (CID 97199367) is (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone is CN(C)[C@@H](C(=O)N1CCSCC1)c1cccc(F)c1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone?
The InChIKey is FBRLBDXYQJNVSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-16(2)13(11-4-3-5-12(15)10-11)14(18)17-6-8-19-9-7-17/h3-5,10,13H,6-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone?
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone has a molecular weight of 282.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 97199367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).