3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride

C15H23ClN2O3S — CID 119951836

IUPAC3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-11-12(2)21(19,20)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
InChIKeyDUYWAMSUKKEBIM-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.53
Rot. Bonds3

About 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride

3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119951836) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119951836
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-11-12(2)21(19,20)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
InChIKeyDUYWAMSUKKEBIM-UHFFFAOYSA-N
XLogP1.53
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 119330766
3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951701
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
(3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride
CID 174370623
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
1-(4-amino-4-phenylbutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371894
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
2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 119330760
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride (CID 119951836) is 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride is CC1C(C)S(=O)(=O)CCN1C(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is DUYWAMSUKKEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S.ClH/c1-11-12(2)21(19,20)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-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride?
3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119951836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).