2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide

C8H16N2O4S — CID 80520093

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C8H16N2O4S/c1-10(14-2)8(11)5-7-6-15(12,13)4-3-9-7/h7,9H,3-6H2,1-2H3
InChIKeyGQBXPVDVKYNHQK-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.22
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide (PubChem CID 80520093) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
PubChem CID80520093
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C8H16N2O4S/c1-10(14-2)8(11)5-7-6-15(12,13)4-3-9-7/h7,9H,3-6H2,1-2H3
InChIKeyGQBXPVDVKYNHQK-UHFFFAOYSA-N
XLogP-1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide 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-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 80520117
N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519883
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-propan-2-ylamino]acetic acid
CID 80520157
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 80520889
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethylphenyl)-N-methylacetamide
CID 80518081
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915347
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
CID 80516039
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 113468661
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 80520131

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide (CID 80520093) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide is CON(C)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide?
The InChIKey is GQBXPVDVKYNHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-10(14-2)8(11)5-7-6-15(12,13)4-3-9-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide has a molecular weight of 236.29 g/mol, XLogP of -1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 80520093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).