3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine

C19H24N2O2S — CID 25109078

IUPAC3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O
InChIInChI=1S/C19H24N2O2S/c1-20(2)14-8-12-18-15-16-9-6-7-13-19(16)21(24(18,22)23)17-10-4-3-5-11-17/h3-7,9-11,13,18H,8,12,14-15H2,1-2H3
InChIKeyMSPDOMIBYLHBDI-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.42
Rot. Bonds5

About 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine

3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine (PubChem CID 25109078) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine
PubChem CID25109078
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O
InChIInChI=1S/C19H24N2O2S/c1-20(2)14-8-12-18-15-16-9-6-7-13-19(16)21(24(18,22)23)17-10-4-3-5-11-17/h3-7,9-11,13,18H,8,12,14-15H2,1-2H3
InChIKeyMSPDOMIBYLHBDI-UHFFFAOYSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid
CID 69260819
(2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70608078
N-benzyl-3-(2,2-dihydroxy-1-phenyl-4,2λ4,1-benzoxathiazin-3-yl)-N-methylpropan-1-amine
CID 69270144
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61190065
3-(2,2-dioxo-1-phenyl-4,2λ6,1-benzoxathiazin-3-yl)-N-methylpropan-1-amine
CID 24822175
1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone
CID 3052831
N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine
CID 63503822
3-[(5S)-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepin-5-yl]-N,N-dimethylpropan-1-amine
CID 826380
(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63699600
2-[(3S)-2,2-dioxo-1-phenyl-4,2λ6,1-benzoxathiazin-3-yl]-N-methylethanamine
CID 59761313
(E)-but-2-enedioic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 67276536
N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 784635

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine (CID 25109078) is 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O.
What is the InChIKey of 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is MSPDOMIBYLHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20(2)14-8-12-18-15-16-9-6-7-13-19(16)21(24(18,22)23)17-10-4-3-5-11-17/h3-7,9-11,13,18H,8,12,14-15H2,1-2H3.
What are the key properties of 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine?
3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 344.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dioxo-1-phenyl-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 25109078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).