3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride

C15H23ClN2OS — CID 119951701

IUPAC3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1SCCN(C(=O)CC(N)c2ccccc2)C1C.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-11-12(2)19-9-8-17(11)15(18)10-14(16)13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10,16H2,1-2H3;1H
InChIKeyWJJDGAJGMIOPIZ-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.85
Rot. Bonds3

About 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride

3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119951701) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119951701
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1SCCN(C(=O)CC(N)c2ccccc2)C1C.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-11-12(2)19-9-8-17(11)15(18)10-14(16)13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10,16H2,1-2H3;1H
InChIKeyWJJDGAJGMIOPIZ-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951836
2-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923806
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 119952419
(3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride
CID 174370623
1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953494
(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
CID 125146845
3-amino-1-(2,6-dimethylazepan-1-yl)-3-phenylpropan-1-one
CID 119951712
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162
(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride (CID 119951701) is 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride is CC1SCCN(C(=O)CC(N)c2ccccc2)C1C.Cl.
What is the InChIKey of 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is WJJDGAJGMIOPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-11-12(2)19-9-8-17(11)15(18)10-14(16)13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10,16H2,1-2H3;1H.
What are the key properties of 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride?
3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119951701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).