N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H24N2S — CID 6493402

IUPACN-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCCC(CC)NC1=NCCCS1
InChIInChI=1S/C12H24N2S/c1-3-5-6-8-11(4-2)14-12-13-9-7-10-15-12/h11H,3-10H2,1-2H3,(H,13,14)
InChIKeyRZLHBHXUSDTSDT-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.43
Rot. Bonds6

About N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 6493402) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID6493402
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCCC(CC)NC1=NCCCS1
InChIInChI=1S/C12H24N2S/c1-3-5-6-8-11(4-2)14-12-13-9-7-10-15-12/h11H,3-10H2,1-2H3,(H,13,14)
InChIKeyRZLHBHXUSDTSDT-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 6493402) is N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCCCCC(CC)NC1=NCCCS1.
What is the InChIKey of N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RZLHBHXUSDTSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-5-6-8-11(4-2)14-12-13-9-7-10-15-12/h11H,3-10H2,1-2H3,(H,13,14).
What are the key properties of N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 6493402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).