2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate

C12H23NO5S — CID 58283306

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO5S/c1-12(2,3)11(14)18-10-17-7-4-13-5-8-19(15,16)9-6-13/h4-10H2,1-3H3
InChIKeyATUTZSUTEZMRBO-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.28
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate (PubChem CID 58283306) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate
PubChem CID58283306
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO5S/c1-12(2,3)11(14)18-10-17-7-4-13-5-8-19(15,16)9-6-13/h4-10H2,1-3H3
InChIKeyATUTZSUTEZMRBO-UHFFFAOYSA-N
XLogP0.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate (CID 58283306) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCOCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate?
The InChIKey is ATUTZSUTEZMRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-12(2,3)11(14)18-10-17-7-4-13-5-8-19(15,16)9-6-13/h4-10H2,1-3H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate?
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate has a molecular weight of 293.38 g/mol, XLogP of 0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 58283306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).