2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone

C14H20N2O3S — CID 119330766

IUPAC2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-10-11(2)20(18,19)9-8-16(10)14(17)13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3
InChIKeyGQZWEZDBJLWVTM-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.72
Rot. Bonds2

About 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone

2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone (PubChem CID 119330766) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
PubChem CID119330766
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-10-11(2)20(18,19)9-8-16(10)14(17)13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3
InChIKeyGQZWEZDBJLWVTM-UHFFFAOYSA-N
XLogP0.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 102883338
2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 119330760
1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369260
(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone
CID 129436950
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931
(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
CID 103833251
2-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-phenylethanone;hydrochloride
CID 119327754
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 60945116

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone (CID 119330766) is 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone is CC1C(C)S(=O)(=O)CCN1C(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone?
The InChIKey is GQZWEZDBJLWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-11(2)20(18,19)9-8-16(10)14(17)13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3.
What are the key properties of 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone?
2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone has a molecular weight of 296.39 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone is sourced from PubChem (CID 119330766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).