2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine

C14H22N2O2S — CID 43581276

IUPAC2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCS(=O)(=O)CC2)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-11-3-4-13(12(2)9-11)14(10-15)16-5-7-19(17,18)8-6-16/h3-4,9,14H,5-8,10,15H2,1-2H3
InChIKeyNYDKGRWFAJLOIE-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.03
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine

2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (PubChem CID 43581276) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
PubChem CID43581276
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCS(=O)(=O)CC2)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-11-3-4-13(12(2)9-11)14(10-15)16-5-7-19(17,18)8-6-16/h3-4,9,14H,5-8,10,15H2,1-2H3
InChIKeyNYDKGRWFAJLOIE-UHFFFAOYSA-N
XLogP1.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine
CID 43581361
2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494712
2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
CID 54977844
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-thiophen-2-ylethanamine
CID 114083369
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 43581265
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
CID 43581263
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43581330
2-(3,4-dimethoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581296
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 43581307

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (CID 43581276) is 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine is Cc1ccc(C(CN)N2CCS(=O)(=O)CC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The InChIKey is NYDKGRWFAJLOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-3-4-13(12(2)9-11)14(10-15)16-5-7-19(17,18)8-6-16/h3-4,9,14H,5-8,10,15H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine has a molecular weight of 282.41 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine is sourced from PubChem (CID 43581276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).