3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide

C10H15N3O2S — CID 169233149

IUPAC3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cncc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C10H15N3O2S/c1-8-5-11-6-10(12-8)13-3-4-16(14,15)7-9(13)2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyKZLOYWIHIUGBGT-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.41
Rot. Bonds1

About 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide

3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 169233149) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID169233149
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cncc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C10H15N3O2S/c1-8-5-11-6-10(12-8)13-3-4-16(14,15)7-9(13)2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyKZLOYWIHIUGBGT-UHFFFAOYSA-N
XLogP0.41
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide (CID 169233149) is 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide is Cc1cncc(N2CCS(=O)(=O)CC2C)n1.
What is the InChIKey of 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is KZLOYWIHIUGBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-8-5-11-6-10(12-8)13-3-4-16(14,15)7-9(13)2/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 241.32 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(6-methylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 169233149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).