3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile

C11H14N4O2S — CID 71921200

IUPAC3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile
SMILESCC1(C)CN(c2nccnc2C#N)CCS1(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-11(2)8-15(5-6-18(11,16)17)10-9(7-12)13-3-4-14-10/h3-4H,5-6,8H2,1-2H3
InChIKeyYKOUKAMLFLGDTJ-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.36
Rot. Bonds1

About 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile

3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile (PubChem CID 71921200) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile
PubChem CID71921200
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile
SMILESCC1(C)CN(c2nccnc2C#N)CCS1(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-11(2)8-15(5-6-18(11,16)17)10-9(7-12)13-3-4-14-10/h3-4H,5-6,8H2,1-2H3
InChIKeyYKOUKAMLFLGDTJ-UHFFFAOYSA-N
XLogP0.36
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile (CID 71921200) is 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile is CC1(C)CN(c2nccnc2C#N)CCS1(=O)=O.
What is the InChIKey of 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile?
The InChIKey is YKOUKAMLFLGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-11(2)8-15(5-6-18(11,16)17)10-9(7-12)13-3-4-14-10/h3-4H,5-6,8H2,1-2H3.
What are the key properties of 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile?
3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 71921200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).