N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide

C13H19N3O3S — CID 102882723

IUPACN-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCC1CS(=O)(=O)CCN1CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H19N3O3S/c1-10-9-20(18,19)7-6-16(10)8-13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyIGKFOIULNGKHQV-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.33
Rot. Bonds3

About N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide

N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide (PubChem CID 102882723) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
PubChem CID102882723
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCC1CS(=O)(=O)CCN1CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H19N3O3S/c1-10-9-20(18,19)7-6-16(10)8-13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyIGKFOIULNGKHQV-UHFFFAOYSA-N
XLogP0.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102882753
N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 102882757
N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 102882853
N-(4-aminophenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 55163078
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone
CID 102884755
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 102884752
methyl 1,1-dioxo-4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,4-thiazinane-3-carboxylate
CID 75478093
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 102884982
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-nitrophenyl)ethanone
CID 102884656

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide (CID 102882723) is N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide is CC1CS(=O)(=O)CCN1CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The InChIKey is IGKFOIULNGKHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10-9-20(18,19)7-6-16(10)8-13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9,14H2,1H3,(H,15,17).
What are the key properties of N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide is sourced from PubChem (CID 102882723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).