2-hexyl-4-methyl-1,3-thiazinane

C11H23NS — CID 66232199

IUPAC2-hexyl-4-methyl-1,3-thiazinane
SMILESCCCCCCC1NC(C)CCS1
InChIInChI=1S/C11H23NS/c1-3-4-5-6-7-11-12-10(2)8-9-13-11/h10-12H,3-9H2,1-2H3
InChIKeyMMFRTLJATFRFSL-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.40
Rot. Bonds5

About 2-hexyl-4-methyl-1,3-thiazinane

2-hexyl-4-methyl-1,3-thiazinane (PubChem CID 66232199) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-hexyl-4-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-hexyl-4-methyl-1,3-thiazinane
PubChem CID66232199
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-hexyl-4-methyl-1,3-thiazinane
SMILESCCCCCCC1NC(C)CCS1
InChIInChI=1S/C11H23NS/c1-3-4-5-6-7-11-12-10(2)8-9-13-11/h10-12H,3-9H2,1-2H3
InChIKeyMMFRTLJATFRFSL-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.40
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

4-methyl-2-pentyl-1,3-thiazolidine
CID 66219394
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
2-nonylthietane
CID 21487379
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
2-nonyl-1,3-thiazinane;hydrochloride
CID 3061409
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
CID 24773513
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
4-butyl-2-methyl-6-pentyl-1,3,5-dithiazinane
CID 528748

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-methyl-1,3-thiazinane?
The IUPAC name of 2-hexyl-4-methyl-1,3-thiazinane (CID 66232199) is 2-hexyl-4-methyl-1,3-thiazinane.
What is the SMILES notation for 2-hexyl-4-methyl-1,3-thiazinane?
The canonical SMILES for 2-hexyl-4-methyl-1,3-thiazinane is CCCCCCC1NC(C)CCS1.
What is the InChIKey of 2-hexyl-4-methyl-1,3-thiazinane?
The InChIKey is MMFRTLJATFRFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-4-5-6-7-11-12-10(2)8-9-13-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-hexyl-4-methyl-1,3-thiazinane?
2-hexyl-4-methyl-1,3-thiazinane has a molecular weight of 201.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-methyl-1,3-thiazinane is sourced from PubChem (CID 66232199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).