N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H24N2S — CID 7421144

IUPACN-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCC[C@H](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)/t11-/m0/s1
InChIKeyRZLHBHXUSDTSDT-NSHDSACASA-N
MW228.40 g/mol
LogP3.43
Rot. Bonds6

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

N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 7421144) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID7421144
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCC[C@H](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)/t11-/m0/s1
InChIKeyRZLHBHXUSDTSDT-NSHDSACASA-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-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 7421144) is N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CCCCC[C@H](CC)NC1=NCCCS1.
What is the InChIKey of N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RZLHBHXUSDTSDT-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(3S)-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-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 7421144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).