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

C10H20N2S — CID 6493401

IUPACN-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCCCNC1=NCCCS1
InChIInChI=1S/C10H20N2S/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h2-9H2,1H3,(H,11,12)
InChIKeyHUPXCPGYBCWBCC-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.65
Rot. Bonds5

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

N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 6493401) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID6493401
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCCCNC1=NCCCS1
InChIInChI=1S/C10H20N2S/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h2-9H2,1H3,(H,11,12)
InChIKeyHUPXCPGYBCWBCC-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.65
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-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 6493401) is N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCCCCCNC1=NCCCS1.
What is the InChIKey of N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is HUPXCPGYBCWBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h2-9H2,1H3,(H,11,12).
What are the key properties of N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 200.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 6493401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).