2-(6-methyldodecan-6-yl)thiazin-5-amine

C17H32N2S — CID 170316475

IUPAC2-(6-methyldodecan-6-yl)thiazin-5-amine
SMILESCCCCCCC(C)(CCCCC)N1C=CC(N)=CS1
InChIInChI=1S/C17H32N2S/c1-4-6-8-10-13-17(3,12-9-7-5-2)19-14-11-16(18)15-20-19/h11,14-15H,4-10,12-13,18H2,1-3H3
InChIKeyCWCFTVTWYMLOIQ-UHFFFAOYSA-N
MW296.52 g/mol
LogP5.57
Rot. Bonds10

About 2-(6-methyldodecan-6-yl)thiazin-5-amine

2-(6-methyldodecan-6-yl)thiazin-5-amine (PubChem CID 170316475) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 2-(6-methyldodecan-6-yl)thiazin-5-amine.

Molecular Properties

Compound Name2-(6-methyldodecan-6-yl)thiazin-5-amine
PubChem CID170316475
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name2-(6-methyldodecan-6-yl)thiazin-5-amine
SMILESCCCCCCC(C)(CCCCC)N1C=CC(N)=CS1
InChIInChI=1S/C17H32N2S/c1-4-6-8-10-13-17(3,12-9-7-5-2)19-14-11-16(18)15-20-19/h11,14-15H,4-10,12-13,18H2,1-3H3
InChIKeyCWCFTVTWYMLOIQ-UHFFFAOYSA-N
XLogP5.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-methyldodecan-6-yl)thiazin-5-amine 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

4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine
CID 170314188
2-(6-methyldodecan-6-yl)thiazin-3-amine
CID 170308997
1-(7-methyltridecan-7-yl)-2,3-dihydropyrrol-5-amine
CID 170309499
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822
tetracosane-6,6-diamine
CID 154005419
12-bromo-12-undecyltricosane
CID 88743185
nonane-1,1,1-triamine
CID 18954154

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyldodecan-6-yl)thiazin-5-amine?
The IUPAC name of 2-(6-methyldodecan-6-yl)thiazin-5-amine (CID 170316475) is 2-(6-methyldodecan-6-yl)thiazin-5-amine.
What is the SMILES notation for 2-(6-methyldodecan-6-yl)thiazin-5-amine?
The canonical SMILES for 2-(6-methyldodecan-6-yl)thiazin-5-amine is CCCCCCC(C)(CCCCC)N1C=CC(N)=CS1.
What is the InChIKey of 2-(6-methyldodecan-6-yl)thiazin-5-amine?
The InChIKey is CWCFTVTWYMLOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-4-6-8-10-13-17(3,12-9-7-5-2)19-14-11-16(18)15-20-19/h11,14-15H,4-10,12-13,18H2,1-3H3.
What are the key properties of 2-(6-methyldodecan-6-yl)thiazin-5-amine?
2-(6-methyldodecan-6-yl)thiazin-5-amine has a molecular weight of 296.52 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyldodecan-6-yl)thiazin-5-amine is sourced from PubChem (CID 170316475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).