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

C13H20N2O2S — CID 43581361

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H20N2O2S/c1-11-4-2-3-5-12(11)13(10-14)15-6-8-18(16,17)9-7-15/h2-5,13H,6-10,14H2,1H3
InChIKeyBAHWVSSBLMBLCH-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.73
Rot. Bonds3

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 43581361) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine
PubChem CID43581361
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H20N2O2S/c1-11-4-2-3-5-12(11)13(10-14)15-6-8-18(16,17)9-7-15/h2-5,13H,6-10,14H2,1H3
InChIKeyBAHWVSSBLMBLCH-UHFFFAOYSA-N
XLogP0.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581276
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 43581265
2-(4,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62935471
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-thiophen-2-ylethanamine
CID 114083369
2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 79182595
2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
CID 63622557
3-(2-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82082601
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43581330
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
CID 43581263
7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091706
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79940900

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine (CID 43581361) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1C(CN)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is BAHWVSSBLMBLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-4-2-3-5-12(11)13(10-14)15-6-8-18(16,17)9-7-15/h2-5,13H,6-10,14H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 268.38 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43581361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).