2-(2-methoxyphenyl)-1,3-thiazinan-4-one

C11H13NO2S — CID 3068037

IUPAC2-(2-methoxyphenyl)-1,3-thiazinan-4-one
SMILESCOc1ccccc1C1NC(=O)CCS1
InChIInChI=1S/C11H13NO2S/c1-14-9-5-3-2-4-8(9)11-12-10(13)6-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyCQULDBBHGMHIAE-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.95
Rot. Bonds2

About 2-(2-methoxyphenyl)-1,3-thiazinan-4-one

2-(2-methoxyphenyl)-1,3-thiazinan-4-one (PubChem CID 3068037) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,3-thiazinan-4-one
PubChem CID3068037
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(2-methoxyphenyl)-1,3-thiazinan-4-one
SMILESCOc1ccccc1C1NC(=O)CCS1
InChIInChI=1S/C11H13NO2S/c1-14-9-5-3-2-4-8(9)11-12-10(13)6-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyCQULDBBHGMHIAE-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,3-thiazinan-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-1,3-thiazinan-4-one (CID 3068037) is 2-(2-methoxyphenyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-1,3-thiazinan-4-one is COc1ccccc1C1NC(=O)CCS1.
What is the InChIKey of 2-(2-methoxyphenyl)-1,3-thiazinan-4-one?
The InChIKey is CQULDBBHGMHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-14-9-5-3-2-4-8(9)11-12-10(13)6-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-(2-methoxyphenyl)-1,3-thiazinan-4-one?
2-(2-methoxyphenyl)-1,3-thiazinan-4-one has a molecular weight of 223.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3068037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).