2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate

C9H15NO4S — CID 58283249

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H15NO4S/c1-2-9(11)14-6-3-10-4-7-15(12,13)8-5-10/h2H,1,3-8H2
InChIKeyWGQUETSGMRQUAI-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.55
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate (PubChem CID 58283249) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate
PubChem CID58283249
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H15NO4S/c1-2-9(11)14-6-3-10-4-7-15(12,13)8-5-10/h2H,1,3-8H2
InChIKeyWGQUETSGMRQUAI-UHFFFAOYSA-N
XLogP-0.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate 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-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate
CID 18934215
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl adamantane-1-carboxylate
CID 58283157
2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
CID 66735577
2-(2-oxo-1,3-oxazolidin-3-yl)ethyl prop-2-enoate
CID 22728782
8-prop-2-enoyloxyoctyl 3-[4-[3-oxo-3-(8-prop-2-enoyloxyoctoxy)propyl]piperazin-1-yl]propanoate
CID 102107249
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 3-iodobenzoate
CID 146365973
[4-(aziridin-1-yl)-2-[2-[2-(aziridin-1-yl)ethoxy]ethyl]butyl] prop-2-enoate
CID 123270459
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
aziridin-1-ylmethyl prop-2-enoate;prop-2-enoic acid
CID 164900793
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl octadec-9-enoate
CID 76740441
2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate
CID 159707126

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate (CID 58283249) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate?
The InChIKey is WGQUETSGMRQUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-2-9(11)14-6-3-10-4-7-15(12,13)8-5-10/h2H,1,3-8H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate?
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate has a molecular weight of 233.29 g/mol, XLogP of -0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate is sourced from PubChem (CID 58283249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).