1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine

C12H19N3O2S — CID 114055861

IUPAC1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1cccnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H19N3O2S/c1-10(13-2)11-4-3-5-14-12(11)15-6-8-18(16,17)9-7-15/h3-5,10,13H,6-9H2,1-2H3
InChIKeyRCHKMMUFZKHRAP-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.60
Rot. Bonds3

About 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine (PubChem CID 114055861) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine
PubChem CID114055861
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1cccnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H19N3O2S/c1-10(13-2)11-4-3-5-14-12(11)15-6-8-18(16,17)9-7-15/h3-5,10,13H,6-9H2,1-2H3
InChIKeyRCHKMMUFZKHRAP-UHFFFAOYSA-N
XLogP0.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine (CID 114055861) is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine is CNC(C)c1cccnc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine?
The InChIKey is RCHKMMUFZKHRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10(13-2)11-4-3-5-14-12(11)15-6-8-18(16,17)9-7-15/h3-5,10,13H,6-9H2,1-2H3.
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine?
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine has a molecular weight of 269.37 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 114055861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).