N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C13H22N2S — CID 115361685

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NC2CC3CCC2C3)SC1
InChIInChI=1S/C13H22N2S/c1-13(2)7-14-12(16-8-13)15-11-6-9-3-4-10(11)5-9/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyGZVMOWNUBTZPLJ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.89
Rot. Bonds1

About N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361685) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361685
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NC2CC3CCC2C3)SC1
InChIInChI=1S/C13H22N2S/c1-13(2)7-14-12(16-8-13)15-11-6-9-3-4-10(11)5-9/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyGZVMOWNUBTZPLJ-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine with MolForge

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Related Compounds

N-(2,3-dimethylcyclopentyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361707
5,5-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 103968036
(5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol
CID 163871827
5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361684
N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361472
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-6H-1,3,5-oxathiazin-4-amine
CID 70840874
3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359679
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63448629
N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361644
N-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoro-1,3-benzodioxol-5-amine
CID 63422949
N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355152
N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethylthian-3-amine
CID 79958327

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115361685) is N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NC2CC3CCC2C3)SC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is GZVMOWNUBTZPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-13(2)7-14-12(16-8-13)15-11-6-9-3-4-10(11)5-9/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 238.40 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).