2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine

C14H23N3O2S — CID 80522006

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine
SMILESCN(CCc1ccccn1)CCC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H23N3O2S/c1-17(9-5-13-4-2-3-7-15-13)10-6-14-12-20(18,19)11-8-16-14/h2-4,7,14,16H,5-6,8-12H2,1H3
InChIKeyHXXDXNIKUPTGPJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.33
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine (PubChem CID 80522006) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine
PubChem CID80522006
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine
SMILESCN(CCc1ccccn1)CCC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H23N3O2S/c1-17(9-5-13-4-2-3-7-15-13)10-6-14-12-20(18,19)11-8-16-14/h2-4,7,14,16H,5-6,8-12H2,1H3
InChIKeyHXXDXNIKUPTGPJ-UHFFFAOYSA-N
XLogP0.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)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

N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 80519850
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80522098
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 114430704
N-methyl-2-pyridin-2-yl-N-(1,3-thiazolidin-4-ylmethyl)ethanamine
CID 43199847
N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-2-pyridin-2-ylethanamine
CID 79385131
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 50982350
N-methyl-1-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 65241177
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine (CID 80522006) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine is CN(CCc1ccccn1)CCC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine?
The InChIKey is HXXDXNIKUPTGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17(9-5-13-4-2-3-7-15-13)10-6-14-12-20(18,19)11-8-16-14/h2-4,7,14,16H,5-6,8-12H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine has a molecular weight of 297.42 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 80522006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).