2-(2-ethylphenyl)-5-methyl-1,3-thiazinane

C13H19NS — CID 66225711

IUPAC2-(2-ethylphenyl)-5-methyl-1,3-thiazinane
SMILESCCc1ccccc1C1NCC(C)CS1
InChIInChI=1S/C13H19NS/c1-3-11-6-4-5-7-12(11)13-14-8-10(2)9-15-13/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyRRYSCNZLLPFBEE-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.22
Rot. Bonds2

About 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane

2-(2-ethylphenyl)-5-methyl-1,3-thiazinane (PubChem CID 66225711) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(2-ethylphenyl)-5-methyl-1,3-thiazinane
PubChem CID66225711
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-(2-ethylphenyl)-5-methyl-1,3-thiazinane
SMILESCCc1ccccc1C1NCC(C)CS1
InChIInChI=1S/C13H19NS/c1-3-11-6-4-5-7-12(11)13-14-8-10(2)9-15-13/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyRRYSCNZLLPFBEE-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane?
The IUPAC name of 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane (CID 66225711) is 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane?
The canonical SMILES for 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane is CCc1ccccc1C1NCC(C)CS1.
What is the InChIKey of 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane?
The InChIKey is RRYSCNZLLPFBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-11-6-4-5-7-12(11)13-14-8-10(2)9-15-13/h4-7,10,13-14H,3,8-9H2,1-2H3.
What are the key properties of 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane?
2-(2-ethylphenyl)-5-methyl-1,3-thiazinane has a molecular weight of 221.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-5-methyl-1,3-thiazinane is sourced from PubChem (CID 66225711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).