3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one

C16H24N2OS — CID 119952419

IUPAC3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)CC(N)c2ccccc2)CCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)15-11-18(8-9-20-15)16(19)10-14(17)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3
InChIKeyMLKIJPQOAMYWSP-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one

3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one (PubChem CID 119952419) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
PubChem CID119952419
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)CC(N)c2ccccc2)CCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)15-11-18(8-9-20-15)16(19)10-14(17)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3
InChIKeyMLKIJPQOAMYWSP-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
(2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one
CID 124569098
3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119953755
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 120594140
2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119342682
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 112702989
3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951701
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-amino-3-phenylpropan-1-one;hydrochloride
CID 119951607

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one?
The IUPAC name of 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one (CID 119952419) is 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one is CC(C)C1CN(C(=O)CC(N)c2ccccc2)CCS1.
What is the InChIKey of 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one?
The InChIKey is MLKIJPQOAMYWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)15-11-18(8-9-20-15)16(19)10-14(17)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3.
What are the key properties of 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one?
3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one has a molecular weight of 292.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 119952419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).