3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide

C12H17NO2S — CID 66219415

IUPAC3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCOc1cccc(C2CS(=O)CC(C)N2)c1
InChIInChI=1S/C12H17NO2S/c1-9-7-16(14)8-12(13-9)10-4-3-5-11(6-10)15-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyGFKONRXRFKZGBS-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.48
Rot. Bonds2

About 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide

3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide (PubChem CID 66219415) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide
PubChem CID66219415
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCOc1cccc(C2CS(=O)CC(C)N2)c1
InChIInChI=1S/C12H17NO2S/c1-9-7-16(14)8-12(13-9)10-4-3-5-11(6-10)15-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyGFKONRXRFKZGBS-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide (CID 66219415) is 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide is COc1cccc(C2CS(=O)CC(C)N2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide?
The InChIKey is GFKONRXRFKZGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-7-16(14)8-12(13-9)10-4-3-5-11(6-10)15-2/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide?
3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide has a molecular weight of 239.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66219415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).