2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide

C13H19NOS — CID 12849849

IUPAC2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide
SMILESCCC1(c2ccccc2)CN(C)CCS1=O
InChIInChI=1S/C13H19NOS/c1-3-13(12-7-5-4-6-8-12)11-14(2)9-10-16(13)15/h4-8H,3,9-11H2,1-2H3
InChIKeyHHQAIVYCVKQVGS-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.99
Rot. Bonds2

About 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide

2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide (PubChem CID 12849849) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide
PubChem CID12849849
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide
SMILESCCC1(c2ccccc2)CN(C)CCS1=O
InChIInChI=1S/C13H19NOS/c1-3-13(12-7-5-4-6-8-12)11-14(2)9-10-16(13)15/h4-8H,3,9-11H2,1-2H3
InChIKeyHHQAIVYCVKQVGS-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide?
The IUPAC name of 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide (CID 12849849) is 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide is CCC1(c2ccccc2)CN(C)CCS1=O.
What is the InChIKey of 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide?
The InChIKey is HHQAIVYCVKQVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-13(12-7-5-4-6-8-12)11-14(2)9-10-16(13)15/h4-8H,3,9-11H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide?
2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide has a molecular weight of 237.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 12849849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).