2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide

C12H17NO2S — CID 12849841

IUPAC2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide
SMILESCOc1cccc(C2CN(C)CCS2=O)c1
InChIInChI=1S/C12H17NO2S/c1-13-6-7-16(14)12(9-13)10-4-3-5-11(8-10)15-2/h3-5,8,12H,6-7,9H2,1-2H3
InChIKeyANPIOIDVCHUXSW-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.43
Rot. Bonds2

About 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide

2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide (PubChem CID 12849841) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide
PubChem CID12849841
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide
SMILESCOc1cccc(C2CN(C)CCS2=O)c1
InChIInChI=1S/C12H17NO2S/c1-13-6-7-16(14)12(9-13)10-4-3-5-11(8-10)15-2/h3-5,8,12H,6-7,9H2,1-2H3
InChIKeyANPIOIDVCHUXSW-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
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[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide (CID 12849841) is 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide is COc1cccc(C2CN(C)CCS2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide?
The InChIKey is ANPIOIDVCHUXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-13-6-7-16(14)12(9-13)10-4-3-5-11(8-10)15-2/h3-5,8,12H,6-7,9H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide?
2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide has a molecular weight of 239.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 12849841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).