5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine

C12H24N2OS2 — CID 106251562

IUPAC5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NC(C)CS(C)=O)SC1
InChIInChI=1S/C12H24N2OS2/c1-5-12(6-2)8-13-11(16-9-12)14-10(3)7-17(4)15/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyONEXNWYHQJNOQW-UHFFFAOYSA-N
MW276.47 g/mol
LogP2.25
Rot. Bonds5

About 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106251562) has the molecular formula C12H24N2OS2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106251562
Molecular FormulaC12H24N2OS2
Molecular Weight276.47 g/mol
Exact Mass276.13
IUPAC Name5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NC(C)CS(C)=O)SC1
InChIInChI=1S/C12H24N2OS2/c1-5-12(6-2)8-13-11(16-9-12)14-10(3)7-17(4)15/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyONEXNWYHQJNOQW-UHFFFAOYSA-N
XLogP2.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106251562) is 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NC(C)CS(C)=O)SC1.
What is the InChIKey of 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is ONEXNWYHQJNOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS2/c1-5-12(6-2)8-13-11(16-9-12)14-10(3)7-17(4)15/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 276.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106251562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).