4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide

C19H23NO3S — CID 53253656

IUPAC4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccccc2)C(COCc2ccccc2)C1
InChIInChI=1S/C19H23NO3S/c21-24(22)12-11-20(13-17-7-3-1-4-8-17)19(16-24)15-23-14-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyMQXIJPYMOZJRLJ-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.50
Rot. Bonds6

About 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide

4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 53253656) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID53253656
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccccc2)C(COCc2ccccc2)C1
InChIInChI=1S/C19H23NO3S/c21-24(22)12-11-20(13-17-7-3-1-4-8-17)19(16-24)15-23-14-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyMQXIJPYMOZJRLJ-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide 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

(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol
CID 154408086
1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid
CID 146134011
(2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylic acid
CID 126651453
(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine
CID 139578462
2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 10941465
[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol
CID 171373496
2-[4-[(4-methylsulfanylphenyl)methyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80516540
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
CID 10869250
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
(3R)-2-[(4-methoxyphenyl)methyl]-3-(phenylmethoxymethyl)-3,4-dihydrothiazine 1,1-dioxide
CID 171991453

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide (CID 53253656) is 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccccc2)C(COCc2ccccc2)C1.
What is the InChIKey of 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is MQXIJPYMOZJRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c21-24(22)12-11-20(13-17-7-3-1-4-8-17)19(16-24)15-23-14-18-9-5-2-6-10-18/h1-10,19H,11-16H2.
What are the key properties of 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide?
4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 345.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 53253656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).