N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H24N2OS — CID 65035434

IUPACN-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCOC2CCCCC2)SC1
InChIInChI=1S/C13H24N2OS/c1-11-9-15-13(17-10-11)14-7-8-16-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyOZSLGLCFXKAQCC-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds4

About N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035434) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035434
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCOC2CCCCC2)SC1
InChIInChI=1S/C13H24N2OS/c1-11-9-15-13(17-10-11)14-7-8-16-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyOZSLGLCFXKAQCC-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61611927
5-methyl-N-(oxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61611953
N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61881793
N-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63826686
N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63826687
N-(2-cyclohexyloxyethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63827036
N-(2-cyclohexyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63827392
N-(2-cyclopentyloxyethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63828809
N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035433
5-methyl-N-(oxan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035707
N-(2-ethoxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035998
5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036375

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035434) is N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCCOC2CCCCC2)SC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OZSLGLCFXKAQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11-9-15-13(17-10-11)14-7-8-16-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).