3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

C6H12N2O2S — CID 140804205

IUPAC3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1CS(=O)(=O)C(C)C(N)=N1
InChIInChI=1S/C6H12N2O2S/c1-4-3-11(9,10)5(2)6(7)8-4/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyDZQIMEFLPXWHLE-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.45
Rot. Bonds

About 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 140804205) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
PubChem CID140804205
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1CS(=O)(=O)C(C)C(N)=N1
InChIInChI=1S/C6H12N2O2S/c1-4-3-11(9,10)5(2)6(7)8-4/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyDZQIMEFLPXWHLE-UHFFFAOYSA-N
XLogP-0.45
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The IUPAC name of 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 140804205) is 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The canonical SMILES for 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is CC1CS(=O)(=O)C(C)C(N)=N1.
What is the InChIKey of 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The InChIKey is DZQIMEFLPXWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-4-3-11(9,10)5(2)6(7)8-4/h4-5H,3H2,1-2H3,(H2,7,8).
What are the key properties of 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 176.24 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 140804205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).