N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C15H27N3S — CID 106351280

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(NC2CN3CCC2CC3)=N1
InChIInChI=1S/C15H27N3S/c1-15(2,3)13-6-9-19-14(17-13)16-12-10-18-7-4-11(12)5-8-18/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyBKDKNHMDZIBJFV-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.58
Rot. Bonds1

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351280) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351280
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(NC2CN3CCC2CC3)=N1
InChIInChI=1S/C15H27N3S/c1-15(2,3)13-6-9-19-14(17-13)16-12-10-18-7-4-11(12)5-8-18/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyBKDKNHMDZIBJFV-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

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Related Compounds

4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352421
4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351080
4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177342
4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351496
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide
CID 114177179
(3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine
CID 58707401
4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351476
4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351378
4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352463
N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 106559020
3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
CID 102983633

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351280) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(NC2CN3CCC2CC3)=N1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is BKDKNHMDZIBJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-15(2,3)13-6-9-19-14(17-13)16-12-10-18-7-4-11(12)5-8-18/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 281.47 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).