[2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine

C12H19N3OS — CID 113381383

IUPAC[2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
SMILESCCc1cc(CN)cc(N2CCS(=O)CC2)n1
InChIInChI=1S/C12H19N3OS/c1-2-11-7-10(9-13)8-12(14-11)15-3-5-17(16)6-4-15/h7-8H,2-6,9,13H2,1H3
InChIKeyRBFMVDBLFVHLMO-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.67
Rot. Bonds3

About [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine

[2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine (PubChem CID 113381383) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
PubChem CID113381383
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
SMILESCCc1cc(CN)cc(N2CCS(=O)CC2)n1
InChIInChI=1S/C12H19N3OS/c1-2-11-7-10(9-13)8-12(14-11)15-3-5-17(16)6-4-15/h7-8H,2-6,9,13H2,1H3
InChIKeyRBFMVDBLFVHLMO-UHFFFAOYSA-N
XLogP0.67
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine (CID 113381383) is [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine is CCc1cc(CN)cc(N2CCS(=O)CC2)n1.
What is the InChIKey of [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine?
The InChIKey is RBFMVDBLFVHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-11-7-10(9-13)8-12(14-11)15-3-5-17(16)6-4-15/h7-8H,2-6,9,13H2,1H3.
What are the key properties of [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine?
[2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine has a molecular weight of 253.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 113381383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).