2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine

C13H21N3O2S — CID 102887231

IUPAC2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H21N3O2S/c1-10-7-12(3-4-14)8-15-13(10)16-5-6-19(17,18)9-11(16)2/h7-8,11H,3-6,9,14H2,1-2H3
InChIKeyHEQUFOZDOBAGFO-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.51
Rot. Bonds3

About 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine

2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine (PubChem CID 102887231) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
PubChem CID102887231
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H21N3O2S/c1-10-7-12(3-4-14)8-15-13(10)16-5-6-19(17,18)9-11(16)2/h7-8,11H,3-6,9,14H2,1-2H3
InChIKeyHEQUFOZDOBAGFO-UHFFFAOYSA-N
XLogP0.51
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine (CID 102887231) is 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1N1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
The InChIKey is HEQUFOZDOBAGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-7-12(3-4-14)8-15-13(10)16-5-6-19(17,18)9-11(16)2/h7-8,11H,3-6,9,14H2,1-2H3.
What are the key properties of 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine?
2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine has a molecular weight of 283.40 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 102887231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).