2-nonyl-1,3-thiazinane;hydrochloride

C13H28ClNS — CID 3061409

IUPAC2-nonyl-1,3-thiazinane;hydrochloride
SMILESCCCCCCCCCC1NCCCS1.Cl
InChIInChI=1S/C13H27NS.ClH/c1-2-3-4-5-6-7-8-10-13-14-11-9-12-15-13;/h13-14H,2-12H2,1H3;1H
InChIKeyOUBCGWQWIJPMFP-UHFFFAOYSA-N
MW265.89 g/mol
LogP4.60
Rot. Bonds8

About 2-nonyl-1,3-thiazinane;hydrochloride

2-nonyl-1,3-thiazinane;hydrochloride (PubChem CID 3061409) has the molecular formula C13H28ClNS and a molecular weight of 265.89 g/mol. Its IUPAC name is 2-nonyl-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-nonyl-1,3-thiazinane;hydrochloride
PubChem CID3061409
Molecular FormulaC13H28ClNS
Molecular Weight265.89 g/mol
Exact Mass265.16
IUPAC Name2-nonyl-1,3-thiazinane;hydrochloride
SMILESCCCCCCCCCC1NCCCS1.Cl
InChIInChI=1S/C13H27NS.ClH/c1-2-3-4-5-6-7-8-10-13-14-11-9-12-15-13;/h13-14H,2-12H2,1H3;1H
InChIKeyOUBCGWQWIJPMFP-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylsulfanylpropyl)-1,3-thiazinane
CID 103090316
2-(2-methylsulfanylethyl)-1,3-thiazinane
CID 66218754
2-nonyl-1,3-dithiane
CID 577314
2-hexyl-4-methyl-1,3-thiazinane
CID 66232199
(2S)-2-hexylpyrrolidine
CID 7047826
2-hexylthiomorpholine;hydrochloride
CID 175272280
2-tetradecylpiperidine
CID 151771246
2-dodecylthiane
CID 14420052
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
2-tridecylimidazolidine
CID 54282172
2-heptadecylazepane
CID 4009189

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-1,3-thiazinane;hydrochloride?
The IUPAC name of 2-nonyl-1,3-thiazinane;hydrochloride (CID 3061409) is 2-nonyl-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-nonyl-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-nonyl-1,3-thiazinane;hydrochloride is CCCCCCCCCC1NCCCS1.Cl.
What is the InChIKey of 2-nonyl-1,3-thiazinane;hydrochloride?
The InChIKey is OUBCGWQWIJPMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS.ClH/c1-2-3-4-5-6-7-8-10-13-14-11-9-12-15-13;/h13-14H,2-12H2,1H3;1H.
What are the key properties of 2-nonyl-1,3-thiazinane;hydrochloride?
2-nonyl-1,3-thiazinane;hydrochloride has a molecular weight of 265.89 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1,3-thiazinane;hydrochloride is sourced from PubChem (CID 3061409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).