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

C16H28N2S — CID 115361684

IUPAC5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NC2C3(C)CCC(C3)C2(C)C)SC1
InChIInChI=1S/C16H28N2S/c1-14(2)9-17-13(19-10-14)18-12-15(3,4)11-6-7-16(12,5)8-11/h11-12H,6-10H2,1-5H3,(H,17,18)
InChIKeyNIPWKHJLBYESBI-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.92
Rot. Bonds1

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

5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361684) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361684
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NC2C3(C)CCC(C3)C2(C)C)SC1
InChIInChI=1S/C16H28N2S/c1-14(2)9-17-13(19-10-14)18-12-15(3,4)11-6-7-16(12,5)8-11/h11-12H,6-10H2,1-5H3,(H,17,18)
InChIKeyNIPWKHJLBYESBI-UHFFFAOYSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 115361684) is 5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NC2C3(C)CCC(C3)C2(C)C)SC1.
What is the InChIKey of 5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is NIPWKHJLBYESBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-14(2)9-17-13(19-10-14)18-12-15(3,4)11-6-7-16(12,5)8-11/h11-12H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 280.48 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).