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

C13H26N2S2 — CID 106251529

IUPAC5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NC(C)CCSC)SC1
InChIInChI=1S/C13H26N2S2/c1-5-13(6-2)9-14-12(17-10-13)15-11(3)7-8-16-4/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyQYIRMVVMKUTRBN-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.63
Rot. Bonds6

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

5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106251529) has the molecular formula C13H26N2S2 and a molecular weight of 274.50 g/mol. Its IUPAC name is 5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106251529
Molecular FormulaC13H26N2S2
Molecular Weight274.50 g/mol
Exact Mass274.15
IUPAC Name5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NC(C)CCSC)SC1
InChIInChI=1S/C13H26N2S2/c1-5-13(6-2)9-14-12(17-10-13)15-11(3)7-8-16-4/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyQYIRMVVMKUTRBN-UHFFFAOYSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-diethyl-N-(1-methylsulfinylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251562
5,5-diethyl-N-(1-thiophen-3-ylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250344
N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114168388
(4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985799
N-heptan-2-yl-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361327
5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106251174
N-cyclohexyl-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249625
1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106251711
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249763
5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250447
3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106251449
5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106406406

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106251529) is 5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NC(C)CCSC)SC1.
What is the InChIKey of 5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is QYIRMVVMKUTRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S2/c1-5-13(6-2)9-14-12(17-10-13)15-11(3)7-8-16-4/h11H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 274.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106251529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).