1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol

C11H15NO4S — CID 154408086

IUPAC1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol
SMILESO=S1(=O)CCN(OCc2ccccc2)C(O)C1
InChIInChI=1S/C11H15NO4S/c13-11-9-17(14,15)7-6-12(11)16-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyBWRXHQGAHRYLHC-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.17
Rot. Bonds3

About 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol

1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol (PubChem CID 154408086) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol
PubChem CID154408086
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol
SMILESO=S1(=O)CCN(OCc2ccccc2)C(O)C1
InChIInChI=1S/C11H15NO4S/c13-11-9-17(14,15)7-6-12(11)16-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyBWRXHQGAHRYLHC-UHFFFAOYSA-N
XLogP0.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol 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

(3R,4R,5R,6R)-1,1-dioxo-4,5-bis(phenylmethoxy)thiepane-3,6-diol
CID 10524560
(3S,4R,5R,6S)-1,1-dioxo-4,5-bis(phenylmethoxy)thiepane-3,6-diol
CID 10500723
4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide
CID 53253656
1,1-dioxo-4-(2-phenylmethoxyacetyl)-1,4-thiazinane-3-carboxylic acid
CID 146134011
3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide
CID 139493694
methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoate
CID 3288684
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-phenylmethoxyacetyl)amino]acetamide
CID 94811329
N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide
CID 3805798
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
[chloro(phenoxy)phosphoryl] (2S)-1-phenylmethoxypyrrolidine-2-carboxylate
CID 88548190
1-phenylmethoxy-2-propan-2-yloxypyrrolidine
CID 174567067

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol?
The IUPAC name of 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol (CID 154408086) is 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol?
The canonical SMILES for 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol is O=S1(=O)CCN(OCc2ccccc2)C(O)C1.
What is the InChIKey of 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol?
The InChIKey is BWRXHQGAHRYLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c13-11-9-17(14,15)7-6-12(11)16-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2.
What are the key properties of 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol?
1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol has a molecular weight of 257.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol is sourced from PubChem (CID 154408086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).