(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone

C13H18N2O3S — CID 62509511

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
SMILESCNc1ccc(C)cc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H18N2O3S/c1-10-3-4-12(14-2)11(9-10)13(16)15-5-7-19(17,18)8-6-15/h3-4,9,14H,5-8H2,1-2H3
InChIKeyIATBEEGZVZOJCF-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.91
Rot. Bonds2

About (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone (PubChem CID 62509511) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
PubChem CID62509511
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
SMILESCNc1ccc(C)cc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H18N2O3S/c1-10-3-4-12(14-2)11(9-10)13(16)15-5-7-19(17,18)8-6-15/h3-4,9,14H,5-8H2,1-2H3
InChIKeyIATBEEGZVZOJCF-UHFFFAOYSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62510512
[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502265
[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370710
[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
(2-hydrazinyl-5-methylphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886399
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone
CID 62511342
[5-chloro-2-(ethylamino)phenyl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103529939
(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107408587
[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 62510513
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone (CID 62509511) is (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone is CNc1ccc(C)cc1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
The InChIKey is IATBEEGZVZOJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-3-4-12(14-2)11(9-10)13(16)15-5-7-19(17,18)8-6-15/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone has a molecular weight of 282.37 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone is sourced from PubChem (CID 62509511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).