(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C12H16N2O3S — CID 103811859

IUPAC(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H16N2O3S/c1-9-8-18(16,17)7-6-14(9)12(15)10-2-4-11(13)5-3-10/h2-5,9H,6-8,13H2,1H3
InChIKeyVTPVGNOBAROSMI-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.53
Rot. Bonds1

About (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 103811859) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID103811859
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H16N2O3S/c1-9-8-18(16,17)7-6-14(9)12(15)10-2-4-11(13)5-3-10/h2-5,9H,6-8,13H2,1H3
InChIKeyVTPVGNOBAROSMI-UHFFFAOYSA-N
XLogP0.53
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(2-aminoethyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883272
(4-amino-3-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882172
furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 99816902
[3-amino-4-(dimethylamino)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882248
(E)-3-(4-aminophenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-2-en-1-one
CID 102883258
(5-amino-2-bromophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882272
(5-amino-2-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882268
[4-(3-hydroxyprop-1-ynyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102885692
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)phenyl]methanone
CID 102886340
[1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883352
(4-amino-1H-pyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882270
2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102882184

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 103811859) is (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1CS(=O)(=O)CCN1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is VTPVGNOBAROSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9-8-18(16,17)7-6-14(9)12(15)10-2-4-11(13)5-3-10/h2-5,9H,6-8,13H2,1H3.
What are the key properties of (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 268.34 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 103811859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).