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

C13H20N2O3S — CID 43581263

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-18-12-4-2-11(3-5-12)13(10-14)15-6-8-19(16,17)9-7-15/h2-5,13H,6-10,14H2,1H3
InChIKeyHUXAXQXJWFYOKR-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.43
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 43581263) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
PubChem CID43581263
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-18-12-4-2-11(3-5-12)13(10-14)15-6-8-19(16,17)9-7-15/h2-5,13H,6-10,14H2,1H3
InChIKeyHUXAXQXJWFYOKR-UHFFFAOYSA-N
XLogP0.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581264
2-(3,4-dimethoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581296
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43581330
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65283416
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
tert-butyl 4-[(1R)-2-amino-1-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate
CID 28703897
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697
1-[2-amino-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890916
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine
CID 43581361
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine (CID 43581263) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(C(CN)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is HUXAXQXJWFYOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-12-4-2-11(3-5-12)13(10-14)15-6-8-19(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-(4-methoxyphenyl)ethanamine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 284.38 g/mol, XLogP of 0.43, 4 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-4-yl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 43581263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).