2-hexyl-1,3-thiazinane-4-carboxylic acid

C11H21NO2S — CID 60919531

IUPAC2-hexyl-1,3-thiazinane-4-carboxylic acid
SMILESCCCCCCC1NC(C(=O)O)CCS1
InChIInChI=1S/C11H21NO2S/c1-2-3-4-5-6-10-12-9(11(13)14)7-8-15-10/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyOARWJFVQVLDQRL-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.46
Rot. Bonds6

About 2-hexyl-1,3-thiazinane-4-carboxylic acid

2-hexyl-1,3-thiazinane-4-carboxylic acid (PubChem CID 60919531) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-hexyl-1,3-thiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-hexyl-1,3-thiazinane-4-carboxylic acid
PubChem CID60919531
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-hexyl-1,3-thiazinane-4-carboxylic acid
SMILESCCCCCCC1NC(C(=O)O)CCS1
InChIInChI=1S/C11H21NO2S/c1-2-3-4-5-6-10-12-9(11(13)14)7-8-15-10/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyOARWJFVQVLDQRL-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hexyl-1,3-thiazinane-4-carboxylic acid 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

2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
2-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
2-hexyl-4-methyl-1,3-thiazinane
CID 66232199
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667
6-octylpiperidine-2-carboxylic acid
CID 112574283
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906
(4R)-2-[(octadecylamino)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 146279061
2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid
CID 106676060
2-nonylthietane
CID 21487379
2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazinane-4-carboxylic acid
CID 80500647
4-methyl-2-pentyl-1,3-thiazolidine
CID 66219394

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,3-thiazinane-4-carboxylic acid?
The IUPAC name of 2-hexyl-1,3-thiazinane-4-carboxylic acid (CID 60919531) is 2-hexyl-1,3-thiazinane-4-carboxylic acid.
What is the SMILES notation for 2-hexyl-1,3-thiazinane-4-carboxylic acid?
The canonical SMILES for 2-hexyl-1,3-thiazinane-4-carboxylic acid is CCCCCCC1NC(C(=O)O)CCS1.
What is the InChIKey of 2-hexyl-1,3-thiazinane-4-carboxylic acid?
The InChIKey is OARWJFVQVLDQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-2-3-4-5-6-10-12-9(11(13)14)7-8-15-10/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-hexyl-1,3-thiazinane-4-carboxylic acid?
2-hexyl-1,3-thiazinane-4-carboxylic acid has a molecular weight of 231.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,3-thiazinane-4-carboxylic acid is sourced from PubChem (CID 60919531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).