2-hexyl-4H-1,4-thiazine

C10H17NS — CID 173177012

IUPAC2-hexyl-4H-1,4-thiazine
SMILESCCCCCCC1=CNC=CS1
InChIInChI=1S/C10H17NS/c1-2-3-4-5-6-10-9-11-7-8-12-10/h7-9,11H,2-6H2,1H3
InChIKeyCSONEELRROVXLA-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.61
Rot. Bonds5

About 2-hexyl-4H-1,4-thiazine

2-hexyl-4H-1,4-thiazine (PubChem CID 173177012) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-hexyl-4H-1,4-thiazine.

Molecular Properties

Compound Name2-hexyl-4H-1,4-thiazine
PubChem CID173177012
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-hexyl-4H-1,4-thiazine
SMILESCCCCCCC1=CNC=CS1
InChIInChI=1S/C10H17NS/c1-2-3-4-5-6-10-9-11-7-8-12-10/h7-9,11H,2-6H2,1H3
InChIKeyCSONEELRROVXLA-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexyl-4H-1,4-thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-nonyl-4H-1,4-thiazine
CID 173177284
3-methyl-2-pentyl-4H-1,4-thiazine
CID 173177008
2,3-dipentyl-4H-1,4-thiazine
CID 173177311
2-hexyl-4H-1,4-oxazine
CID 173176596
(2E)-4-octyl-2-(4-octyl-1,3-dithiol-2-ylidene)-1,3-dithiole
CID 58220484
5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
2,3-dibutyl-4H-1,4-thiazine
CID 173177242
3-methyl-4-octylthiophene
CID 22052993
3,4-didecylthiophene
CID 21200004
3,4-dihexyl-1H-pyrrole
CID 67204335
2,5-diheptylthiophene
CID 607114
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4H-1,4-thiazine?
The IUPAC name of 2-hexyl-4H-1,4-thiazine (CID 173177012) is 2-hexyl-4H-1,4-thiazine.
What is the SMILES notation for 2-hexyl-4H-1,4-thiazine?
The canonical SMILES for 2-hexyl-4H-1,4-thiazine is CCCCCCC1=CNC=CS1.
What is the InChIKey of 2-hexyl-4H-1,4-thiazine?
The InChIKey is CSONEELRROVXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-2-3-4-5-6-10-9-11-7-8-12-10/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-hexyl-4H-1,4-thiazine?
2-hexyl-4H-1,4-thiazine has a molecular weight of 183.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4H-1,4-thiazine is sourced from PubChem (CID 173177012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).