2-benzyl-6-methyl-1,3-thiazinane

C12H17NS — CID 66224897

IUPAC2-benzyl-6-methyl-1,3-thiazinane
SMILESCC1CCNC(Cc2ccccc2)S1
InChIInChI=1S/C12H17NS/c1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyZYTMSORADAQXGS-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.67
Rot. Bonds2

About 2-benzyl-6-methyl-1,3-thiazinane

2-benzyl-6-methyl-1,3-thiazinane (PubChem CID 66224897) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-benzyl-6-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-benzyl-6-methyl-1,3-thiazinane
PubChem CID66224897
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-benzyl-6-methyl-1,3-thiazinane
SMILESCC1CCNC(Cc2ccccc2)S1
InChIInChI=1S/C12H17NS/c1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyZYTMSORADAQXGS-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-1,3-thiazinane?
The IUPAC name of 2-benzyl-6-methyl-1,3-thiazinane (CID 66224897) is 2-benzyl-6-methyl-1,3-thiazinane.
What is the SMILES notation for 2-benzyl-6-methyl-1,3-thiazinane?
The canonical SMILES for 2-benzyl-6-methyl-1,3-thiazinane is CC1CCNC(Cc2ccccc2)S1.
What is the InChIKey of 2-benzyl-6-methyl-1,3-thiazinane?
The InChIKey is ZYTMSORADAQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3.
What are the key properties of 2-benzyl-6-methyl-1,3-thiazinane?
2-benzyl-6-methyl-1,3-thiazinane has a molecular weight of 207.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-1,3-thiazinane is sourced from PubChem (CID 66224897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).