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

C12H20N4O2S — CID 102886676

IUPACN-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C12H20N4O2S/c1-3-13-6-11-7-14-8-12(15-11)16-4-5-19(17,18)9-10(16)2/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyBWWOIVORJAJPGY-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.21
Rot. Bonds4

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

N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine (PubChem CID 102886676) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
PubChem CID102886676
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC NameN-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C12H20N4O2S/c1-3-13-6-11-7-14-8-12(15-11)16-4-5-19(17,18)9-10(16)2/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyBWWOIVORJAJPGY-UHFFFAOYSA-N
XLogP0.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine (CID 102886676) is N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(N2CCS(=O)(=O)CC2C)n1.
What is the InChIKey of N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is BWWOIVORJAJPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-13-6-11-7-14-8-12(15-11)16-4-5-19(17,18)9-10(16)2/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine?
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 284.39 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 102886676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).