N-(3-acetylphenyl)morpholine-4-carbothioamide

C13H16N2O2S — CID 19653714

IUPACN-(3-acetylphenyl)morpholine-4-carbothioamide
SMILESCC(=O)c1cccc(NC(=S)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O2S/c1-10(16)11-3-2-4-12(9-11)14-13(18)15-5-7-17-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,18)
InChIKeyFNCBDYISISKIFV-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.92
Rot. Bonds2

About N-(3-acetylphenyl)morpholine-4-carbothioamide

N-(3-acetylphenyl)morpholine-4-carbothioamide (PubChem CID 19653714) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)morpholine-4-carbothioamide
PubChem CID19653714
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(3-acetylphenyl)morpholine-4-carbothioamide
SMILESCC(=O)c1cccc(NC(=S)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O2S/c1-10(16)11-3-2-4-12(9-11)14-13(18)15-5-7-17-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,18)
InChIKeyFNCBDYISISKIFV-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.92
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

N-(3-acetylphenyl)-4-phenylpiperazine-1-carbothioamide
CID 19654358
N-phenylmorpholine-4-carbothioamide
CID 139054920
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
N-(3-acetylphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 19655165
4-(4-acetylphenyl)-N-(3-methylphenyl)piperazine-1-carbothioamide
CID 8660392
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-[3-(azepane-1-carbothioylamino)phenyl]acetamide
CID 43414200
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
N-(3-acetylphenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carbothioamide
CID 2712621

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)morpholine-4-carbothioamide?
The IUPAC name of N-(3-acetylphenyl)morpholine-4-carbothioamide (CID 19653714) is N-(3-acetylphenyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(3-acetylphenyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(3-acetylphenyl)morpholine-4-carbothioamide is CC(=O)c1cccc(NC(=S)N2CCOCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)morpholine-4-carbothioamide?
The InChIKey is FNCBDYISISKIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10(16)11-3-2-4-12(9-11)14-13(18)15-5-7-17-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,18).
What are the key properties of N-(3-acetylphenyl)morpholine-4-carbothioamide?
N-(3-acetylphenyl)morpholine-4-carbothioamide has a molecular weight of 264.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 19653714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).