1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid

C14H17NO6S — CID 146134011

IUPAC1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid
SMILESO=C(O)C1CS(=O)(=O)CCN1C(=O)COCc1ccccc1
InChIInChI=1S/C14H17NO6S/c16-13(9-21-8-11-4-2-1-3-5-11)15-6-7-22(19,20)10-12(15)14(17)18/h1-5,12H,6-10H2,(H,17,18)
InChIKeyGSLSZDQUSMHBKZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP-0.09
Rot. Bonds5

About 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid

1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid (PubChem CID 146134011) has the molecular formula C14H17NO6S and a molecular weight of 327.36 g/mol. Its IUPAC name is 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid.

Molecular Properties

Compound Name1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid
PubChem CID146134011
Molecular FormulaC14H17NO6S
Molecular Weight327.36 g/mol
Exact Mass327.08
IUPAC Name1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid
SMILESO=C(O)C1CS(=O)(=O)CCN1C(=O)COCc1ccccc1
InChIInChI=1S/C14H17NO6S/c16-13(9-21-8-11-4-2-1-3-5-11)15-6-7-22(19,20)10-12(15)14(17)18/h1-5,12H,6-10H2,(H,17,18)
InChIKeyGSLSZDQUSMHBKZ-UHFFFAOYSA-N
XLogP-0.09
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol
CID 154408086
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide
CID 53253656
1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
CID 119176089
(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 95197684
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-phenylmethoxyacetyl)amino]acetamide
CID 94811329
(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide
CID 120965400
2-phenylmethoxy-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 94819194
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid?
The IUPAC name of 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid (CID 146134011) is 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid.
What is the SMILES notation for 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid?
The canonical SMILES for 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid is O=C(O)C1CS(=O)(=O)CCN1C(=O)COCc1ccccc1.
What is the InChIKey of 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid?
The InChIKey is GSLSZDQUSMHBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6S/c16-13(9-21-8-11-4-2-1-3-5-11)15-6-7-22(19,20)10-12(15)14(17)18/h1-5,12H,6-10H2,(H,17,18).
What are the key properties of 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid?
1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid is sourced from PubChem (CID 146134011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).