6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione

C14H19NOS — CID 4967811

IUPAC6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione
SMILESCC1(C)CC(C)(Cc2ccccc2)OC(=S)N1
InChIInChI=1S/C14H19NOS/c1-13(2)10-14(3,16-12(17)15-13)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKeyUTWWSZAFEJZVAY-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.06
Rot. Bonds2

About 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione

6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione (PubChem CID 4967811) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione.

Molecular Properties

Compound Name6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione
PubChem CID4967811
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione
SMILESCC1(C)CC(C)(Cc2ccccc2)OC(=S)N1
InChIInChI=1S/C14H19NOS/c1-13(2)10-14(3,16-12(17)15-13)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKeyUTWWSZAFEJZVAY-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 65126692
4,4-dibenzyl-1,3-oxazolidine-2-thione
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CID 134955555
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
3-benzyl-3-methyloxiran-2-amine
CID 130712281
2-benzyl-2,5,5-trimethyl-1,3-oxazolidine
CID 117228986
3-benzyl-3-methylpyrrolidine
CID 58254769
3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928120
4,4-dibenzylimidazolidine
CID 91332332
2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine
CID 13293497
3,9,15-tribenzyl-3,9,15-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 102513519
(3R)-3-benzyl-3-methyloxolan-2-one
CID 10261923

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione?
The IUPAC name of 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione (CID 4967811) is 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione.
What is the SMILES notation for 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione?
The canonical SMILES for 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione is CC1(C)CC(C)(Cc2ccccc2)OC(=S)N1.
What is the InChIKey of 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione?
The InChIKey is UTWWSZAFEJZVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-13(2)10-14(3,16-12(17)15-13)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17).
What are the key properties of 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione?
6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione has a molecular weight of 249.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione is sourced from PubChem (CID 4967811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).