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

C13H19NO2S — CID 82481833

IUPAC2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide
SMILESCCc1cc(C2CNCCS2=O)ccc1OC
InChIInChI=1S/C13H19NO2S/c1-3-10-8-11(4-5-12(10)16-2)13-9-14-6-7-17(13)15/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyPHUPLPYYOVODCU-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.65
Rot. Bonds3

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

2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide (PubChem CID 82481833) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide
PubChem CID82481833
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide
SMILESCCc1cc(C2CNCCS2=O)ccc1OC
InChIInChI=1S/C13H19NO2S/c1-3-10-8-11(4-5-12(10)16-2)13-9-14-6-7-17(13)15/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyPHUPLPYYOVODCU-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide
CID 82477178
2-(2-methoxyphenyl)-1,4-thiazinane 1-oxide
CID 82473465
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane
CID 116864041
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
CID 115211260
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
4-(3-ethyl-4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982907
(3-ethyl-4-methoxyphenyl)-piperidin-4-ylmethanol
CID 82297068
(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939767
3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209878

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide (CID 82481833) is 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide is CCc1cc(C2CNCCS2=O)ccc1OC.
What is the InChIKey of 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide?
The InChIKey is PHUPLPYYOVODCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-10-8-11(4-5-12(10)16-2)13-9-14-6-7-17(13)15/h4-5,8,13-14H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide?
2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide has a molecular weight of 253.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 82481833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).