2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid

C14H19NO3S — CID 80500707

IUPAC2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid
SMILESCOc1ccc(CC2(C)NC(C(=O)O)CCS2)cc1
InChIInChI=1S/C14H19NO3S/c1-14(15-12(13(16)17)7-8-19-14)9-10-3-5-11(18-2)6-4-10/h3-6,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyQTDBENYGZIZLGA-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.13
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid

2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid (PubChem CID 80500707) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid
PubChem CID80500707
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid
SMILESCOc1ccc(CC2(C)NC(C(=O)O)CCS2)cc1
InChIInChI=1S/C14H19NO3S/c1-14(15-12(13(16)17)7-8-19-14)9-10-3-5-11(18-2)6-4-10/h3-6,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyQTDBENYGZIZLGA-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid 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-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500615
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
CID 63271050
(3R,6S)-6-[(4-methoxyphenyl)methyl]-5-oxothiomorpholine-3-carboxylic acid
CID 95002119
(4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 153321239
2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid
CID 80500865
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
(4-methoxyphenyl)methyl (2S)-4-oxoazetidine-2-carboxylate
CID 70319681
(3S,6S)-6-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
CID 41002234
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid (CID 80500707) is 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid is COc1ccc(CC2(C)NC(C(=O)O)CCS2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid?
The InChIKey is QTDBENYGZIZLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-14(15-12(13(16)17)7-8-19-14)9-10-3-5-11(18-2)6-4-10/h3-6,12,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid?
2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid is sourced from PubChem (CID 80500707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).